N-[3-[1-(cyclohexylmethyl)-5-(2-methoxyphenyl)indol-3-yl]-3-(3-methylphenyl)propyl]cyclohexanamine

C38H48N2O — CID 142579624

IUPACN-[3-[1-(cyclohexylmethyl)-5-(2-methoxyphenyl)indol-3-yl]-3-(3-methylphenyl)propyl]cyclohexanamine
SMILESCOc1ccccc1-c1ccc2c(c1)c(C(CCNC1CCCCC1)c1cccc(C)c1)cn2CC1CCCCC1
InChIInChI=1S/C38H48N2O/c1-28-12-11-15-30(24-28)33(22-23-39-32-16-7-4-8-17-32)36-27-40(26-29-13-5-3-6-14-29)37-21-20-31(25-35(36)37)34-18-9-10-19-38(34)41-2/h9-12,15,18-21,24-25,27,29,32-33,39H,3-8,13-14,16-17,22-23,26H2,1-2H3
InChIKeyMHYQQJUSIKSOBR-UHFFFAOYSA-N
MW548.82 g/mol
LogP9.65
Rot. Bonds10

About N-[3-[1-(cyclohexylmethyl)-5-(2-methoxyphenyl)indol-3-yl]-3-(3-methylphenyl)propyl]cyclohexanamine

N-[3-[1-(cyclohexylmethyl)-5-(2-methoxyphenyl)indol-3-yl]-3-(3-methylphenyl)propyl]cyclohexanamine (PubChem CID 142579624) has the molecular formula C38H48N2O and a molecular weight of 548.82 g/mol. Its IUPAC name is N-[3-[1-(cyclohexylmethyl)-5-(2-methoxyphenyl)indol-3-yl]-3-(3-methylphenyl)propyl]cyclohexanamine.

Molecular Properties

Compound NameN-[3-[1-(cyclohexylmethyl)-5-(2-methoxyphenyl)indol-3-yl]-3-(3-methylphenyl)propyl]cyclohexanamine
PubChem CID142579624
Molecular FormulaC38H48N2O
Molecular Weight548.82 g/mol
Exact Mass548.38
IUPAC NameN-[3-[1-(cyclohexylmethyl)-5-(2-methoxyphenyl)indol-3-yl]-3-(3-methylphenyl)propyl]cyclohexanamine
SMILESCOc1ccccc1-c1ccc2c(c1)c(C(CCNC1CCCCC1)c1cccc(C)c1)cn2CC1CCCCC1
InChIInChI=1S/C38H48N2O/c1-28-12-11-15-30(24-28)33(22-23-39-32-16-7-4-8-17-32)36-27-40(26-29-13-5-3-6-14-29)37-21-20-31(25-35(36)37)34-18-9-10-19-38(34)41-2/h9-12,15,18-21,24-25,27,29,32-33,39H,3-8,13-14,16-17,22-23,26H2,1-2H3
InChIKeyMHYQQJUSIKSOBR-UHFFFAOYSA-N
XLogP9.65
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.82
LogP ≤ 59.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[1-(cyclopentylmethyl)indol-3-yl]-3-(3-methylphenyl)propyl]cyclohexanamine
CID 142579745
4-N-[3-[1-(cyclohexylmethyl)-5-nitroindol-3-yl]-3-(3-methylphenyl)propyl]cyclohexane-1,4-diamine
CID 166691521
N-[[4-(aminomethyl)cyclohexyl]methyl]-3-[1-(cyclohexylmethyl)indol-3-yl]-3-(3-methylphenyl)propan-1-amine
CID 142579399
N-cyclohexyl-3-[1-(cyclohexylmethyl)-5-methoxyindol-3-yl]-3-(3-methylphenyl)propanamide
CID 142579601
N-[3-[1-(cyclohexylmethyl)indol-3-yl]-3-(2-methylphenyl)propyl]cyclohexanamine
CID 142579561
1-[3-[1-(cyclohexylmethyl)indol-3-yl]-3-(3-methylphenyl)propyl]piperidin-4-amine;methane
CID 160945637
3-[3-[(4-aminocyclohexyl)amino]-1-(3-methylphenyl)propyl]-1-(oxan-4-ylmethyl)indole-5-carbonitrile;hydrochloride
CID 158568536
1-(cyclohexylmethyl)-3-[1-(3-methylphenyl)-4-piperidin-4-ylbutyl]indole
CID 158088466
N-(4-aminocyclohexyl)-3-[1-(cyclohexylmethyl)-5-pyridin-4-ylindol-3-yl]-3-(3-methylphenyl)propanamide;hydrochloride
CID 166691495
tert-butyl N-[4-[[3-[5-(aminomethyl)-1-(oxan-4-ylmethyl)indol-3-yl]-3-(3-methylphenyl)propyl]amino]cyclohexyl]carbamate
CID 142579324
N-[3-(1-cyclohexylindol-3-yl)-3-(3-methylphenyl)propyl]piperidin-4-amine;hydrochloride
CID 162459838
1-(4-aminocyclohexyl)-4-[1-(cyclohexylmethyl)-5-methoxyindol-3-yl]-4-(3-methylphenyl)butan-2-one;hydrochloride
CID 161334455

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(cyclohexylmethyl)-5-(2-methoxyphenyl)indol-3-yl]-3-(3-methylphenyl)propyl]cyclohexanamine?
The IUPAC name of N-[3-[1-(cyclohexylmethyl)-5-(2-methoxyphenyl)indol-3-yl]-3-(3-methylphenyl)propyl]cyclohexanamine (CID 142579624) is N-[3-[1-(cyclohexylmethyl)-5-(2-methoxyphenyl)indol-3-yl]-3-(3-methylphenyl)propyl]cyclohexanamine.
What is the SMILES notation for N-[3-[1-(cyclohexylmethyl)-5-(2-methoxyphenyl)indol-3-yl]-3-(3-methylphenyl)propyl]cyclohexanamine?
The canonical SMILES for N-[3-[1-(cyclohexylmethyl)-5-(2-methoxyphenyl)indol-3-yl]-3-(3-methylphenyl)propyl]cyclohexanamine is COc1ccccc1-c1ccc2c(c1)c(C(CCNC1CCCCC1)c1cccc(C)c1)cn2CC1CCCCC1.
What is the InChIKey of N-[3-[1-(cyclohexylmethyl)-5-(2-methoxyphenyl)indol-3-yl]-3-(3-methylphenyl)propyl]cyclohexanamine?
The InChIKey is MHYQQJUSIKSOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H48N2O/c1-28-12-11-15-30(24-28)33(22-23-39-32-16-7-4-8-17-32)36-27-40(26-29-13-5-3-6-14-29)37-21-20-31(25-35(36)37)34-18-9-10-19-38(34)41-2/h9-12,15,18-21,24-25,27,29,32-33,39H,3-8,13-14,16-17,22-23,26H2,1-2H3.
What are the key properties of N-[3-[1-(cyclohexylmethyl)-5-(2-methoxyphenyl)indol-3-yl]-3-(3-methylphenyl)propyl]cyclohexanamine?
N-[3-[1-(cyclohexylmethyl)-5-(2-methoxyphenyl)indol-3-yl]-3-(3-methylphenyl)propyl]cyclohexanamine has a molecular weight of 548.82 g/mol, XLogP of 9.65, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(cyclohexylmethyl)-5-(2-methoxyphenyl)indol-3-yl]-3-(3-methylphenyl)propyl]cyclohexanamine is sourced from PubChem (CID 142579624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).