2-amino-N-[3-(aminomethyl)phenyl]propanamide

C10H15N3O — CID 62070130

IUPAC2-amino-N-[3-(aminomethyl)phenyl]propanamide
SMILESCC(N)C(=O)Nc1cccc(CN)c1
InChIInChI=1S/C10H15N3O/c1-7(12)10(14)13-9-4-2-3-8(5-9)6-11/h2-5,7H,6,11-12H2,1H3,(H,13,14)
InChIKeyURTPFNOXFKBTAU-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.43
Rot. Bonds3

About 2-amino-N-[3-(aminomethyl)phenyl]propanamide

2-amino-N-[3-(aminomethyl)phenyl]propanamide (PubChem CID 62070130) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-amino-N-[3-(aminomethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-amino-N-[3-(aminomethyl)phenyl]propanamide
PubChem CID62070130
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name2-amino-N-[3-(aminomethyl)phenyl]propanamide
SMILESCC(N)C(=O)Nc1cccc(CN)c1
InChIInChI=1S/C10H15N3O/c1-7(12)10(14)13-9-4-2-3-8(5-9)6-11/h2-5,7H,6,11-12H2,1H3,(H,13,14)
InChIKeyURTPFNOXFKBTAU-UHFFFAOYSA-N
XLogP0.43
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(aminomethyl)phenyl]-2-methylpropanamide
CID 16773966
2-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]acetic acid
CID 65350383
(2S)-2-amino-N-[3-[(dimethylamino)methyl]phenyl]propanamide
CID 61145682
(2R)-2-amino-N-[3-(propan-2-yloxymethyl)phenyl]propanamide
CID 119306295
(2S)-2-amino-N-[3-(2,2,2-trifluoroethyl)phenyl]propanamide;hydrochloride
CID 119333857
methyl 2-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]acetate;hydrochloride
CID 119322800
N-[3-(aminomethyl)phenyl]acetamide;hydrochloride
CID 2760945
N-(3-acetamidophenyl)-2-aminopropanamide
CID 24711020
(2S)-2-amino-N-[3-(tert-butylsulfinylmethyl)phenyl]propanamide
CID 119327234
N-[3-(aminomethyl)phenyl]-2-butan-2-ylsulfinylpropanamide
CID 81328323
N-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]-2-methylpropanamide;hydrochloride
CID 119281775
2-amino-N-(3-aminophenyl)propanamide
CID 110478892

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(aminomethyl)phenyl]propanamide?
The IUPAC name of 2-amino-N-[3-(aminomethyl)phenyl]propanamide (CID 62070130) is 2-amino-N-[3-(aminomethyl)phenyl]propanamide.
What is the SMILES notation for 2-amino-N-[3-(aminomethyl)phenyl]propanamide?
The canonical SMILES for 2-amino-N-[3-(aminomethyl)phenyl]propanamide is CC(N)C(=O)Nc1cccc(CN)c1.
What is the InChIKey of 2-amino-N-[3-(aminomethyl)phenyl]propanamide?
The InChIKey is URTPFNOXFKBTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-7(12)10(14)13-9-4-2-3-8(5-9)6-11/h2-5,7H,6,11-12H2,1H3,(H,13,14).
What are the key properties of 2-amino-N-[3-(aminomethyl)phenyl]propanamide?
2-amino-N-[3-(aminomethyl)phenyl]propanamide has a molecular weight of 193.25 g/mol, XLogP of 0.43, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(aminomethyl)phenyl]propanamide is sourced from PubChem (CID 62070130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).