2-(aminomethyl)-3-[4-(1-amino-2-phenylethyl)phenyl]propanamide

C18H23N3O — CID 174284135

IUPAC2-(aminomethyl)-3-[4-(1-amino-2-phenylethyl)phenyl]propanamide
SMILESNCC(Cc1ccc(C(N)Cc2ccccc2)cc1)C(N)=O
InChIInChI=1S/C18H23N3O/c19-12-16(18(21)22)10-14-6-8-15(9-7-14)17(20)11-13-4-2-1-3-5-13/h1-9,16-17H,10-12,19-20H2,(H2,21,22)
InChIKeyRBEKRWIDYAKBMQ-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.53
Rot. Bonds7

About 2-(aminomethyl)-3-[4-(1-amino-2-phenylethyl)phenyl]propanamide

2-(aminomethyl)-3-[4-(1-amino-2-phenylethyl)phenyl]propanamide (PubChem CID 174284135) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-(aminomethyl)-3-[4-(1-amino-2-phenylethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(aminomethyl)-3-[4-(1-amino-2-phenylethyl)phenyl]propanamide
PubChem CID174284135
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name2-(aminomethyl)-3-[4-(1-amino-2-phenylethyl)phenyl]propanamide
SMILESNCC(Cc1ccc(C(N)Cc2ccccc2)cc1)C(N)=O
InChIInChI=1S/C18H23N3O/c19-12-16(18(21)22)10-14-6-8-15(9-7-14)17(20)11-13-4-2-1-3-5-13/h1-9,16-17H,10-12,19-20H2,(H2,21,22)
InChIKeyRBEKRWIDYAKBMQ-UHFFFAOYSA-N
XLogP1.53
TPSA95.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(aminomethyl)-3-(4-phenylphenyl)propanoic acid
CID 29061371
2-phenyl-1-(4-propylphenyl)ethanamine
CID 43100730
2-(aminomethyl)-3-(3-methylphenyl)propanamide
CID 43148279
(1S)-1-[4-(2-bromoethyl)phenyl]-2-phenylethanamine;hydrochloride
CID 67924879
(2R)-2-(aminomethyl)-3-(4-propan-2-ylphenyl)propanoic acid
CID 42329583
(2S)-2-(aminomethyl)-3-(4-propan-2-ylphenyl)propanoic acid
CID 42329580
N-[4-(2-amino-2-phenylethyl)phenyl]acetamide
CID 62719671
2-benzylheptanediamide
CID 154384370
(2R)-2-[(4-phenylphenyl)methyl]butanediamide
CID 154379119
1-(4-methylsulfanylphenyl)-2-phenylethanamine
CID 79217379
2-benzyl-3-[formyl(hydroxy)amino]propanamide
CID 87592529
methyl (3R)-4-amino-3-benzyl-4-oxobutanoate
CID 170449979

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-[4-(1-amino-2-phenylethyl)phenyl]propanamide?
The IUPAC name of 2-(aminomethyl)-3-[4-(1-amino-2-phenylethyl)phenyl]propanamide (CID 174284135) is 2-(aminomethyl)-3-[4-(1-amino-2-phenylethyl)phenyl]propanamide.
What is the SMILES notation for 2-(aminomethyl)-3-[4-(1-amino-2-phenylethyl)phenyl]propanamide?
The canonical SMILES for 2-(aminomethyl)-3-[4-(1-amino-2-phenylethyl)phenyl]propanamide is NCC(Cc1ccc(C(N)Cc2ccccc2)cc1)C(N)=O.
What is the InChIKey of 2-(aminomethyl)-3-[4-(1-amino-2-phenylethyl)phenyl]propanamide?
The InChIKey is RBEKRWIDYAKBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c19-12-16(18(21)22)10-14-6-8-15(9-7-14)17(20)11-13-4-2-1-3-5-13/h1-9,16-17H,10-12,19-20H2,(H2,21,22).
What are the key properties of 2-(aminomethyl)-3-[4-(1-amino-2-phenylethyl)phenyl]propanamide?
2-(aminomethyl)-3-[4-(1-amino-2-phenylethyl)phenyl]propanamide has a molecular weight of 297.40 g/mol, XLogP of 1.53, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-[4-(1-amino-2-phenylethyl)phenyl]propanamide is sourced from PubChem (CID 174284135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).