N-[2-(aminomethyl)phenyl]-2-[cyclopropylmethyl(methyl)amino]propanamide

C15H23N3O — CID 54884442

IUPACN-[2-(aminomethyl)phenyl]-2-[cyclopropylmethyl(methyl)amino]propanamide
SMILESCC(C(=O)Nc1ccccc1CN)N(C)CC1CC1
InChIInChI=1S/C15H23N3O/c1-11(18(2)10-12-7-8-12)15(19)17-14-6-4-3-5-13(14)9-16/h3-6,11-12H,7-10,16H2,1-2H3,(H,17,19)
InChIKeyXHDJBMUAAZURNO-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.81
Rot. Bonds6

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

N-[2-(aminomethyl)phenyl]-2-[cyclopropylmethyl(methyl)amino]propanamide (PubChem CID 54884442) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[2-(aminomethyl)phenyl]-2-[cyclopropylmethyl(methyl)amino]propanamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)phenyl]-2-[cyclopropylmethyl(methyl)amino]propanamide
PubChem CID54884442
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-[2-(aminomethyl)phenyl]-2-[cyclopropylmethyl(methyl)amino]propanamide
SMILESCC(C(=O)Nc1ccccc1CN)N(C)CC1CC1
InChIInChI=1S/C15H23N3O/c1-11(18(2)10-12-7-8-12)15(19)17-14-6-4-3-5-13(14)9-16/h3-6,11-12H,7-10,16H2,1-2H3,(H,17,19)
InChIKeyXHDJBMUAAZURNO-UHFFFAOYSA-N
XLogP1.81
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 18070950
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N-(2-cyanophenyl)-2-[cyclobutylmethyl(methyl)amino]propanamide
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N-[2-(aminomethyl)phenyl]-2-[methyl(pentan-3-yl)amino]propanamide
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N-[2-(aminomethyl)phenyl]-2-[methyl(pentan-2-yl)amino]propanamide
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N-(5-amino-2-methoxyphenyl)-2-[cyclopropylmethyl(methyl)amino]propanamide
CID 60984612
(2R)-2-[methyl-[[(3R)-1-methylpiperidin-3-yl]methyl]amino]-N-(2-propan-2-ylphenyl)propanamide
CID 95630574
N-[2-(aminomethyl)phenyl]-2-[2-methoxyethyl(propan-2-yl)amino]propanamide
CID 82941643
N-[2-(aminomethyl)phenyl]-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]propanamide
CID 79380266
N-[2-(aminomethyl)phenyl]-2-propan-2-ylsulfonylpropanamide
CID 64697646
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Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)phenyl]-2-[cyclopropylmethyl(methyl)amino]propanamide?
The IUPAC name of N-[2-(aminomethyl)phenyl]-2-[cyclopropylmethyl(methyl)amino]propanamide (CID 54884442) is N-[2-(aminomethyl)phenyl]-2-[cyclopropylmethyl(methyl)amino]propanamide.
What is the SMILES notation for N-[2-(aminomethyl)phenyl]-2-[cyclopropylmethyl(methyl)amino]propanamide?
The canonical SMILES for N-[2-(aminomethyl)phenyl]-2-[cyclopropylmethyl(methyl)amino]propanamide is CC(C(=O)Nc1ccccc1CN)N(C)CC1CC1.
What is the InChIKey of N-[2-(aminomethyl)phenyl]-2-[cyclopropylmethyl(methyl)amino]propanamide?
The InChIKey is XHDJBMUAAZURNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11(18(2)10-12-7-8-12)15(19)17-14-6-4-3-5-13(14)9-16/h3-6,11-12H,7-10,16H2,1-2H3,(H,17,19).
What are the key properties of N-[2-(aminomethyl)phenyl]-2-[cyclopropylmethyl(methyl)amino]propanamide?
N-[2-(aminomethyl)phenyl]-2-[cyclopropylmethyl(methyl)amino]propanamide has a molecular weight of 261.37 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)phenyl]-2-[cyclopropylmethyl(methyl)amino]propanamide is sourced from PubChem (CID 54884442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).