2-[[(3-methylphenyl)-phenylmethyl]amino]propan-1-ol

C17H21NO — CID 144917101

IUPAC2-[[(3-methylphenyl)-phenylmethyl]amino]propan-1-ol
SMILESCc1cccc(C(NC(C)CO)c2ccccc2)c1
InChIInChI=1S/C17H21NO/c1-13-7-6-10-16(11-13)17(18-14(2)12-19)15-8-4-3-5-9-15/h3-11,14,17-19H,12H2,1-2H3
InChIKeyPMGHXSJENPRSCM-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.05
Rot. Bonds5

About 2-[[(3-methylphenyl)-phenylmethyl]amino]propan-1-ol

2-[[(3-methylphenyl)-phenylmethyl]amino]propan-1-ol (PubChem CID 144917101) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[[(3-methylphenyl)-phenylmethyl]amino]propan-1-ol.

Molecular Properties

Compound Name2-[[(3-methylphenyl)-phenylmethyl]amino]propan-1-ol
PubChem CID144917101
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name2-[[(3-methylphenyl)-phenylmethyl]amino]propan-1-ol
SMILESCc1cccc(C(NC(C)CO)c2ccccc2)c1
InChIInChI=1S/C17H21NO/c1-13-7-6-10-16(11-13)17(18-14(2)12-19)15-8-4-3-5-9-15/h3-11,14,17-19H,12H2,1-2H3
InChIKeyPMGHXSJENPRSCM-UHFFFAOYSA-N
XLogP3.05
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(benzhydrylamino)propan-1-ol
CID 43499566
(2R)-2-[[phenyl(pyridin-4-yl)methyl]amino]propan-1-ol
CID 114982552
N-[(3-methylphenyl)-phenylmethyl]hydroxylamine
CID 142769620
2-[[(3-methylphenyl)-phenylmethyl]amino]ethanol
CID 144916597
(2R)-2-[[(4-methoxyphenyl)-phenylmethyl]amino]propan-1-ol
CID 114982550
2-(3-methylphenyl)propan-1-ol
CID 21478686
(1R)-N-[1-(3-methylphenyl)ethyl]-1-phenylethanamine
CID 79040987
hydrogen peroxide;bis(1-methyl-3-propan-2-ylbenzene)
CID 172708535
N-[(R)-(3-methylphenyl)-phenylmethyl]formamide
CID 12969500
(2R)-2-[4-(3-methylphenyl)butan-2-ylamino]propan-1-ol
CID 114987003
[3-[(R)-phenyl-[[(1R)-1-phenylethyl]amino]methyl]phenyl]methanol
CID 131851990
(3R)-3-(benzhydrylamino)butanoic acid
CID 69229544

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-methylphenyl)-phenylmethyl]amino]propan-1-ol?
The IUPAC name of 2-[[(3-methylphenyl)-phenylmethyl]amino]propan-1-ol (CID 144917101) is 2-[[(3-methylphenyl)-phenylmethyl]amino]propan-1-ol.
What is the SMILES notation for 2-[[(3-methylphenyl)-phenylmethyl]amino]propan-1-ol?
The canonical SMILES for 2-[[(3-methylphenyl)-phenylmethyl]amino]propan-1-ol is Cc1cccc(C(NC(C)CO)c2ccccc2)c1.
What is the InChIKey of 2-[[(3-methylphenyl)-phenylmethyl]amino]propan-1-ol?
The InChIKey is PMGHXSJENPRSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-13-7-6-10-16(11-13)17(18-14(2)12-19)15-8-4-3-5-9-15/h3-11,14,17-19H,12H2,1-2H3.
What are the key properties of 2-[[(3-methylphenyl)-phenylmethyl]amino]propan-1-ol?
2-[[(3-methylphenyl)-phenylmethyl]amino]propan-1-ol has a molecular weight of 255.36 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-methylphenyl)-phenylmethyl]amino]propan-1-ol is sourced from PubChem (CID 144917101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).