N-[2-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]phenyl]acetamide

C18H22N2O — CID 81369235

IUPACN-[2-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1CN[C@H](C)c1cccc(C)c1
InChIInChI=1S/C18H22N2O/c1-13-7-6-9-16(11-13)14(2)19-12-17-8-4-5-10-18(17)20-15(3)21/h4-11,14,19H,12H2,1-3H3,(H,20,21)/t14-/m1/s1
InChIKeyMPFIWWIJWOZTCJ-CQSZACIVSA-N
MW282.39 g/mol
LogP3.80
Rot. Bonds5

About N-[2-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]phenyl]acetamide

N-[2-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]phenyl]acetamide (PubChem CID 81369235) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-[2-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]phenyl]acetamide
PubChem CID81369235
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-[2-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1CN[C@H](C)c1cccc(C)c1
InChIInChI=1S/C18H22N2O/c1-13-7-6-9-16(11-13)14(2)19-12-17-8-4-5-10-18(17)20-15(3)21/h4-11,14,19H,12H2,1-3H3,(H,20,21)/t14-/m1/s1
InChIKeyMPFIWWIJWOZTCJ-CQSZACIVSA-N
XLogP3.80
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[[1-(3-hydroxyphenyl)ethylamino]methyl]phenyl]acetamide
CID 66417848
N-[2-[[1-(4-chlorophenyl)ethylamino]methyl]phenyl]acetamide
CID 66386038
N-[2-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]phenyl]acetamide
CID 81351725
(1S)-N-[(2-bromophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81363977
4-methyl-2-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]phenol
CID 81360761
2-chloro-6-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]phenol
CID 103940649
N'-hydroxy-2-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]benzenecarboximidamide
CID 81368091
3-methyl-4-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]benzamide
CID 104930103
2-[(2-acetamidophenyl)methylamino]-3-methylbutanoic acid
CID 66419829
(1R)-N-[(3-chloro-2-fluorophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 104930243
N-[2-[[1-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]phenyl]acetamide
CID 106282108
4-fluoro-2-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]phenol
CID 107694502

Frequently Asked Questions

What is the IUPAC name of N-[2-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]phenyl]acetamide?
The IUPAC name of N-[2-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]phenyl]acetamide (CID 81369235) is N-[2-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[2-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]phenyl]acetamide?
The canonical SMILES for N-[2-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]phenyl]acetamide is CC(=O)Nc1ccccc1CN[C@H](C)c1cccc(C)c1.
What is the InChIKey of N-[2-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]phenyl]acetamide?
The InChIKey is MPFIWWIJWOZTCJ-CQSZACIVSA-N. The full InChI is InChI=1S/C18H22N2O/c1-13-7-6-9-16(11-13)14(2)19-12-17-8-4-5-10-18(17)20-15(3)21/h4-11,14,19H,12H2,1-3H3,(H,20,21)/t14-/m1/s1.
What are the key properties of N-[2-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]phenyl]acetamide?
N-[2-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]phenyl]acetamide has a molecular weight of 282.39 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]phenyl]acetamide is sourced from PubChem (CID 81369235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).