N-methyl-N-[[3-(5,6,7,8-tetrahydrochrysen-4-ylmethyl)phenyl]methyl]cyclohexanamine

C33H37N — CID 174587972

IUPACN-methyl-N-[[3-(5,6,7,8-tetrahydrochrysen-4-ylmethyl)phenyl]methyl]cyclohexanamine
SMILESCN(Cc1cccc(Cc2cccc3ccc4c(c23)CCC2=C4C=CCC2)c1)C1CCCCC1
InChIInChI=1S/C33H37N/c1-34(29-14-3-2-4-15-29)23-25-10-7-9-24(21-25)22-28-13-8-12-27-18-19-31-30-16-6-5-11-26(30)17-20-32(31)33(27)28/h6-10,12-13,16,18-19,21,29H,2-5,11,14-15,17,20,22-23H2,1H3
InChIKeyNBMOXOCUUMSJTR-UHFFFAOYSA-N
MW447.67 g/mol
LogP8.24
Rot. Bonds5

About N-methyl-N-[[3-(5,6,7,8-tetrahydrochrysen-4-ylmethyl)phenyl]methyl]cyclohexanamine

N-methyl-N-[[3-(5,6,7,8-tetrahydrochrysen-4-ylmethyl)phenyl]methyl]cyclohexanamine (PubChem CID 174587972) has the molecular formula C33H37N and a molecular weight of 447.67 g/mol. Its IUPAC name is N-methyl-N-[[3-(5,6,7,8-tetrahydrochrysen-4-ylmethyl)phenyl]methyl]cyclohexanamine.

Molecular Properties

Compound NameN-methyl-N-[[3-(5,6,7,8-tetrahydrochrysen-4-ylmethyl)phenyl]methyl]cyclohexanamine
PubChem CID174587972
Molecular FormulaC33H37N
Molecular Weight447.67 g/mol
Exact Mass447.29
IUPAC NameN-methyl-N-[[3-(5,6,7,8-tetrahydrochrysen-4-ylmethyl)phenyl]methyl]cyclohexanamine
SMILESCN(Cc1cccc(Cc2cccc3ccc4c(c23)CCC2=C4C=CCC2)c1)C1CCCCC1
InChIInChI=1S/C33H37N/c1-34(29-14-3-2-4-15-29)23-25-10-7-9-24(21-25)22-28-13-8-12-27-18-19-31-30-16-6-5-11-26(30)17-20-32(31)33(27)28/h6-10,12-13,16,18-19,21,29H,2-5,11,14-15,17,20,22-23H2,1H3
InChIKeyNBMOXOCUUMSJTR-UHFFFAOYSA-N
XLogP8.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.67
LogP ≤ 58.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-methyl-N-[[3-(5,6,7,8-tetrahydrochrysen-4-ylmethyl)phenyl]methyl]cyclohexanamine with MolForge

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Related Compounds

2H-phthalazin-1-one;N-[[4-(5,6,7,8-tetrahydrochrysen-4-ylmethyl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 174710854
(4-phenylmethoxyphenyl)-(5,6,7,8-tetrahydrochrysen-4-yl)methanone
CID 174388301
7-ethyl-1,2,11,12-tetrahydrochrysene
CID 174435742
2-bromo-3-(5,6,7,8-tetrahydrochrysen-4-ylmethyl)pyridine;2H-phthalazin-1-one
CID 174699692
4-cyclopentyl-5,6,7,8-tetrahydrochrysen-1-amine
CID 174584094
N-[[3-(3-aminopropoxy)phenyl]methyl]-N-methylcyclohexanamine
CID 118760232
N-[(3-chlorophenyl)methyl]-N-methylcyclopropanamine
CID 130877387
benzo[e]benzimidazol-2-one;1,2,11,12-tetrahydrochrysene
CID 174378285
4,5-dihydro-1,3-oxazole;1,2,11,12-tetrahydrochrysene
CID 174610668
N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]cyclohexanamine
CID 62424446
N-[3-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-sulfanylacetamide
CID 25257144
ethane;N-methyl-N-[(4-methylphenyl)methyl]cyclohexanamine
CID 143603209

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[3-(5,6,7,8-tetrahydrochrysen-4-ylmethyl)phenyl]methyl]cyclohexanamine?
The IUPAC name of N-methyl-N-[[3-(5,6,7,8-tetrahydrochrysen-4-ylmethyl)phenyl]methyl]cyclohexanamine (CID 174587972) is N-methyl-N-[[3-(5,6,7,8-tetrahydrochrysen-4-ylmethyl)phenyl]methyl]cyclohexanamine.
What is the SMILES notation for N-methyl-N-[[3-(5,6,7,8-tetrahydrochrysen-4-ylmethyl)phenyl]methyl]cyclohexanamine?
The canonical SMILES for N-methyl-N-[[3-(5,6,7,8-tetrahydrochrysen-4-ylmethyl)phenyl]methyl]cyclohexanamine is CN(Cc1cccc(Cc2cccc3ccc4c(c23)CCC2=C4C=CCC2)c1)C1CCCCC1.
What is the InChIKey of N-methyl-N-[[3-(5,6,7,8-tetrahydrochrysen-4-ylmethyl)phenyl]methyl]cyclohexanamine?
The InChIKey is NBMOXOCUUMSJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37N/c1-34(29-14-3-2-4-15-29)23-25-10-7-9-24(21-25)22-28-13-8-12-27-18-19-31-30-16-6-5-11-26(30)17-20-32(31)33(27)28/h6-10,12-13,16,18-19,21,29H,2-5,11,14-15,17,20,22-23H2,1H3.
What are the key properties of N-methyl-N-[[3-(5,6,7,8-tetrahydrochrysen-4-ylmethyl)phenyl]methyl]cyclohexanamine?
N-methyl-N-[[3-(5,6,7,8-tetrahydrochrysen-4-ylmethyl)phenyl]methyl]cyclohexanamine has a molecular weight of 447.67 g/mol, XLogP of 8.24, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[3-(5,6,7,8-tetrahydrochrysen-4-ylmethyl)phenyl]methyl]cyclohexanamine is sourced from PubChem (CID 174587972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).