2-[[[1-cyclopropyl-2-(2-methylphenyl)ethyl]amino]methyl]-3-(2-methylphenyl)propan-1-ol

C23H31NO — CID 166350753

IUPAC2-[[[1-cyclopropyl-2-(2-methylphenyl)ethyl]amino]methyl]-3-(2-methylphenyl)propan-1-ol
SMILESCc1ccccc1CC(CO)CNC(Cc1ccccc1C)C1CC1
InChIInChI=1S/C23H31NO/c1-17-7-3-5-9-21(17)13-19(16-25)15-24-23(20-11-12-20)14-22-10-6-4-8-18(22)2/h3-10,19-20,23-25H,11-16H2,1-2H3
InChIKeyNSCNDRLVIRJWPJ-UHFFFAOYSA-N
MW337.51 g/mol
LogP4.07
Rot. Bonds9

About 2-[[[1-cyclopropyl-2-(2-methylphenyl)ethyl]amino]methyl]-3-(2-methylphenyl)propan-1-ol

2-[[[1-cyclopropyl-2-(2-methylphenyl)ethyl]amino]methyl]-3-(2-methylphenyl)propan-1-ol (PubChem CID 166350753) has the molecular formula C23H31NO and a molecular weight of 337.51 g/mol. Its IUPAC name is 2-[[[1-cyclopropyl-2-(2-methylphenyl)ethyl]amino]methyl]-3-(2-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-[[[1-cyclopropyl-2-(2-methylphenyl)ethyl]amino]methyl]-3-(2-methylphenyl)propan-1-ol
PubChem CID166350753
Molecular FormulaC23H31NO
Molecular Weight337.51 g/mol
Exact Mass337.24
IUPAC Name2-[[[1-cyclopropyl-2-(2-methylphenyl)ethyl]amino]methyl]-3-(2-methylphenyl)propan-1-ol
SMILESCc1ccccc1CC(CO)CNC(Cc1ccccc1C)C1CC1
InChIInChI=1S/C23H31NO/c1-17-7-3-5-9-21(17)13-19(16-25)15-24-23(20-11-12-20)14-22-10-6-4-8-18(22)2/h3-10,19-20,23-25H,11-16H2,1-2H3
InChIKeyNSCNDRLVIRJWPJ-UHFFFAOYSA-N
XLogP4.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-methylphenyl)methyl]-3-(1-propan-2-yloxypropan-2-ylamino)propan-1-ol
CID 166179854
N-ethyl-2-(2-methylphenyl)-1-(4-propylcyclohexyl)ethanamine
CID 65425325
1-(2-chloro-2-cyclopropylethyl)-2-methylbenzene
CID 63015916
N-ethyl-2-(2-methylphenyl)-1-(thiolan-3-yl)ethanamine
CID 105091772
2-[(2-methylphenyl)methyl]-3-[(2-propan-2-ylphenyl)methylamino]propan-1-ol
CID 166383552
[4-[[[(1S)-1-cyclopropyl-2-(2-methylphenyl)ethyl]amino]methyl]phenyl]urea
CID 171359206
1-(2-cyclopropylbutyl)-2-methylbenzene
CID 163903555
5,5-dimethyl-2-[(2-methylphenyl)methyl]hexan-1-ol
CID 66059935
2-[(2,6-difluorophenyl)methyl]-3-(2-methylphenyl)propan-1-ol
CID 114934852
2-[(2,6-dichlorophenyl)methyl]-3-(2-methylphenyl)propan-1-ol
CID 66057630
2-(2-methylphenyl)-1-(4-propylcyclohexyl)ethanol
CID 65424111
2-(1-benzothiophen-3-ylmethyl)-3-(2-methylphenyl)propan-1-ol
CID 66057840

Frequently Asked Questions

What is the IUPAC name of 2-[[[1-cyclopropyl-2-(2-methylphenyl)ethyl]amino]methyl]-3-(2-methylphenyl)propan-1-ol?
The IUPAC name of 2-[[[1-cyclopropyl-2-(2-methylphenyl)ethyl]amino]methyl]-3-(2-methylphenyl)propan-1-ol (CID 166350753) is 2-[[[1-cyclopropyl-2-(2-methylphenyl)ethyl]amino]methyl]-3-(2-methylphenyl)propan-1-ol.
What is the SMILES notation for 2-[[[1-cyclopropyl-2-(2-methylphenyl)ethyl]amino]methyl]-3-(2-methylphenyl)propan-1-ol?
The canonical SMILES for 2-[[[1-cyclopropyl-2-(2-methylphenyl)ethyl]amino]methyl]-3-(2-methylphenyl)propan-1-ol is Cc1ccccc1CC(CO)CNC(Cc1ccccc1C)C1CC1.
What is the InChIKey of 2-[[[1-cyclopropyl-2-(2-methylphenyl)ethyl]amino]methyl]-3-(2-methylphenyl)propan-1-ol?
The InChIKey is NSCNDRLVIRJWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO/c1-17-7-3-5-9-21(17)13-19(16-25)15-24-23(20-11-12-20)14-22-10-6-4-8-18(22)2/h3-10,19-20,23-25H,11-16H2,1-2H3.
What are the key properties of 2-[[[1-cyclopropyl-2-(2-methylphenyl)ethyl]amino]methyl]-3-(2-methylphenyl)propan-1-ol?
2-[[[1-cyclopropyl-2-(2-methylphenyl)ethyl]amino]methyl]-3-(2-methylphenyl)propan-1-ol has a molecular weight of 337.51 g/mol, XLogP of 4.07, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[1-cyclopropyl-2-(2-methylphenyl)ethyl]amino]methyl]-3-(2-methylphenyl)propan-1-ol is sourced from PubChem (CID 166350753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).