2-[[[(1R)-1-(4-methylphenyl)ethyl]amino]methyl]benzamide

C17H20N2O — CID 81356256

IUPAC2-[[[(1R)-1-(4-methylphenyl)ethyl]amino]methyl]benzamide
SMILESCc1ccc([C@@H](C)NCc2ccccc2C(N)=O)cc1
InChIInChI=1S/C17H20N2O/c1-12-7-9-14(10-8-12)13(2)19-11-15-5-3-4-6-16(15)17(18)20/h3-10,13,19H,11H2,1-2H3,(H2,18,20)/t13-/m1/s1
InChIKeyRRTXLZPNKVTDLN-CYBMUJFWSA-N
MW268.36 g/mol
LogP2.94
Rot. Bonds5

About 2-[[[(1R)-1-(4-methylphenyl)ethyl]amino]methyl]benzamide

2-[[[(1R)-1-(4-methylphenyl)ethyl]amino]methyl]benzamide (PubChem CID 81356256) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[[[(1R)-1-(4-methylphenyl)ethyl]amino]methyl]benzamide.

Molecular Properties

Compound Name2-[[[(1R)-1-(4-methylphenyl)ethyl]amino]methyl]benzamide
PubChem CID81356256
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name2-[[[(1R)-1-(4-methylphenyl)ethyl]amino]methyl]benzamide
SMILESCc1ccc([C@@H](C)NCc2ccccc2C(N)=O)cc1
InChIInChI=1S/C17H20N2O/c1-12-7-9-14(10-8-12)13(2)19-11-15-5-3-4-6-16(15)17(18)20/h3-10,13,19H,11H2,1-2H3,(H2,18,20)/t13-/m1/s1
InChIKeyRRTXLZPNKVTDLN-CYBMUJFWSA-N
XLogP2.94
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]benzoic acid
CID 103258886
2-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]benzamide
CID 81401144
2-[[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]benzamide
CID 79248915
methyl 2-[(1-phenylethylamino)methyl]benzoate
CID 43755919
methyl 2-[[[(1S)-1-phenylethyl]amino]methyl]benzoate
CID 81351010
3-fluoro-4-[[[(1R)-1-(4-methylphenyl)ethyl]amino]methyl]benzamide
CID 81348792
2-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]benzamide
CID 61469258
2-[(1-methylsulfonylpropan-2-ylamino)methyl]benzamide
CID 64629794
N-[(2-cyclopropylphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 79889045
(1R)-1-(4-methylphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 81348504
1-(4-methylphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 60944396
2-(2-aminophenyl)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 61102579

Frequently Asked Questions

What is the IUPAC name of 2-[[[(1R)-1-(4-methylphenyl)ethyl]amino]methyl]benzamide?
The IUPAC name of 2-[[[(1R)-1-(4-methylphenyl)ethyl]amino]methyl]benzamide (CID 81356256) is 2-[[[(1R)-1-(4-methylphenyl)ethyl]amino]methyl]benzamide.
What is the SMILES notation for 2-[[[(1R)-1-(4-methylphenyl)ethyl]amino]methyl]benzamide?
The canonical SMILES for 2-[[[(1R)-1-(4-methylphenyl)ethyl]amino]methyl]benzamide is Cc1ccc([C@@H](C)NCc2ccccc2C(N)=O)cc1.
What is the InChIKey of 2-[[[(1R)-1-(4-methylphenyl)ethyl]amino]methyl]benzamide?
The InChIKey is RRTXLZPNKVTDLN-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20N2O/c1-12-7-9-14(10-8-12)13(2)19-11-15-5-3-4-6-16(15)17(18)20/h3-10,13,19H,11H2,1-2H3,(H2,18,20)/t13-/m1/s1.
What are the key properties of 2-[[[(1R)-1-(4-methylphenyl)ethyl]amino]methyl]benzamide?
2-[[[(1R)-1-(4-methylphenyl)ethyl]amino]methyl]benzamide has a molecular weight of 268.36 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(1R)-1-(4-methylphenyl)ethyl]amino]methyl]benzamide is sourced from PubChem (CID 81356256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).