3-[benzyl-(2-methyl-1-phenylpropyl)amino]propan-1-ol

C20H27NO — CID 14596217

IUPAC3-[benzyl-(2-methyl-1-phenylpropyl)amino]propan-1-ol
SMILESCC(C)C(c1ccccc1)N(CCCO)Cc1ccccc1
InChIInChI=1S/C20H27NO/c1-17(2)20(19-12-7-4-8-13-19)21(14-9-15-22)16-18-10-5-3-6-11-18/h3-8,10-13,17,20,22H,9,14-16H2,1-2H3
InChIKeyABHMLUUHHDJNMU-UHFFFAOYSA-N
MW297.44 g/mol
LogP4.27
Rot. Bonds8

About 3-[benzyl-(2-methyl-1-phenylpropyl)amino]propan-1-ol

3-[benzyl-(2-methyl-1-phenylpropyl)amino]propan-1-ol (PubChem CID 14596217) has the molecular formula C20H27NO and a molecular weight of 297.44 g/mol. Its IUPAC name is 3-[benzyl-(2-methyl-1-phenylpropyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[benzyl-(2-methyl-1-phenylpropyl)amino]propan-1-ol
PubChem CID14596217
Molecular FormulaC20H27NO
Molecular Weight297.44 g/mol
Exact Mass297.21
IUPAC Name3-[benzyl-(2-methyl-1-phenylpropyl)amino]propan-1-ol
SMILESCC(C)C(c1ccccc1)N(CCCO)Cc1ccccc1
InChIInChI=1S/C20H27NO/c1-17(2)20(19-12-7-4-8-13-19)21(14-9-15-22)16-18-10-5-3-6-11-18/h3-8,10-13,17,20,22H,9,14-16H2,1-2H3
InChIKeyABHMLUUHHDJNMU-UHFFFAOYSA-N
XLogP4.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-amino-1-phenylpropyl)-benzylamino]ethanol
CID 62116164
4-[ethyl-[(1R)-1-phenylethyl]amino]butan-1-ol
CID 129034055
(1S,2S)-2-(dibenzylamino)-1-phenylpropan-1-ol
CID 11484349
3-[benzyl(ethyl)amino]butan-1-ol
CID 134382987
3-[benzhydryl(butyl)amino]propan-1-ol
CID 56583759
(2S)-2-[benzyl(ethyl)amino]propan-1-ol
CID 14327251
N'-benzyl-N'-(2-methyl-1-thiophen-2-ylpropyl)propane-1,3-diamine
CID 107364937
2-[1-aminopropan-2-yl(benzyl)amino]ethanol
CID 62116860
2-[benzyl(2-hydroxyethyl)amino]propanoic acid
CID 62115110
(4S)-4-N,4-N-dibenzyl-1-N,1-N-diethylpentane-1,4-diamine
CID 155935553
4-[benzyl(ethyl)amino]-4-(3-chlorophenyl)butan-1-ol
CID 69403889
N-benzyl-N',N'-bis(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine
CID 59849259

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl-(2-methyl-1-phenylpropyl)amino]propan-1-ol?
The IUPAC name of 3-[benzyl-(2-methyl-1-phenylpropyl)amino]propan-1-ol (CID 14596217) is 3-[benzyl-(2-methyl-1-phenylpropyl)amino]propan-1-ol.
What is the SMILES notation for 3-[benzyl-(2-methyl-1-phenylpropyl)amino]propan-1-ol?
The canonical SMILES for 3-[benzyl-(2-methyl-1-phenylpropyl)amino]propan-1-ol is CC(C)C(c1ccccc1)N(CCCO)Cc1ccccc1.
What is the InChIKey of 3-[benzyl-(2-methyl-1-phenylpropyl)amino]propan-1-ol?
The InChIKey is ABHMLUUHHDJNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO/c1-17(2)20(19-12-7-4-8-13-19)21(14-9-15-22)16-18-10-5-3-6-11-18/h3-8,10-13,17,20,22H,9,14-16H2,1-2H3.
What are the key properties of 3-[benzyl-(2-methyl-1-phenylpropyl)amino]propan-1-ol?
3-[benzyl-(2-methyl-1-phenylpropyl)amino]propan-1-ol has a molecular weight of 297.44 g/mol, XLogP of 4.27, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl-(2-methyl-1-phenylpropyl)amino]propan-1-ol is sourced from PubChem (CID 14596217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).