2-(aminomethyl)-N-[1-(4-bromophenyl)propyl]-3-methylbutanamide

C15H23BrN2O — CID 65224708

IUPAC2-(aminomethyl)-N-[1-(4-bromophenyl)propyl]-3-methylbutanamide
SMILESCCC(NC(=O)C(CN)C(C)C)c1ccc(Br)cc1
InChIInChI=1S/C15H23BrN2O/c1-4-14(11-5-7-12(16)8-6-11)18-15(19)13(9-17)10(2)3/h5-8,10,13-14H,4,9,17H2,1-3H3,(H,18,19)
InChIKeyIPPWYJZJDRCQCE-UHFFFAOYSA-N
MW327.27 g/mol
LogP3.25
Rot. Bonds6

About 2-(aminomethyl)-N-[1-(4-bromophenyl)propyl]-3-methylbutanamide

2-(aminomethyl)-N-[1-(4-bromophenyl)propyl]-3-methylbutanamide (PubChem CID 65224708) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[1-(4-bromophenyl)propyl]-3-methylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[1-(4-bromophenyl)propyl]-3-methylbutanamide
PubChem CID65224708
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name2-(aminomethyl)-N-[1-(4-bromophenyl)propyl]-3-methylbutanamide
SMILESCCC(NC(=O)C(CN)C(C)C)c1ccc(Br)cc1
InChIInChI=1S/C15H23BrN2O/c1-4-14(11-5-7-12(16)8-6-11)18-15(19)13(9-17)10(2)3/h5-8,10,13-14H,4,9,17H2,1-3H3,(H,18,19)
InChIKeyIPPWYJZJDRCQCE-UHFFFAOYSA-N
XLogP3.25
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-N-[1-(4-chlorophenyl)propyl]-3-methylbutanamide
CID 65225138
2-(aminomethyl)-N-[(1S)-1-(4-bromophenyl)ethyl]-3-methylbutanamide
CID 81360072
2-amino-N-[1-(4-bromophenyl)propyl]acetamide
CID 43233777
2-amino-N-[1-(4-bromophenyl)propyl]-3-methoxypropanamide
CID 81083078
ethyl N-[(1S)-1-(4-bromophenyl)propyl]carbamate
CID 95358471
N-[1-(4-bromophenyl)propyl]-2-[methyl(propan-2-yl)amino]acetamide
CID 47123202
2-(azetidin-3-yl)-N-[1-(4-bromophenyl)propyl]propanamide
CID 116675405
(2S)-2-[[(1R)-1-(4-bromophenyl)propyl]amino]propanamide
CID 8643345
2-(aminomethyl)-N-[1-(4-bromophenyl)ethyl]butanamide
CID 65228834
N-[1-[1-(4-bromophenyl)propylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 51299263
3-amino-2-phenyl-N-(1-phenylpropyl)propanamide
CID 62878381
2-[1-(4-bromophenyl)propylamino]-N-methylpropanamide
CID 60673174

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[1-(4-bromophenyl)propyl]-3-methylbutanamide?
The IUPAC name of 2-(aminomethyl)-N-[1-(4-bromophenyl)propyl]-3-methylbutanamide (CID 65224708) is 2-(aminomethyl)-N-[1-(4-bromophenyl)propyl]-3-methylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[1-(4-bromophenyl)propyl]-3-methylbutanamide?
The canonical SMILES for 2-(aminomethyl)-N-[1-(4-bromophenyl)propyl]-3-methylbutanamide is CCC(NC(=O)C(CN)C(C)C)c1ccc(Br)cc1.
What is the InChIKey of 2-(aminomethyl)-N-[1-(4-bromophenyl)propyl]-3-methylbutanamide?
The InChIKey is IPPWYJZJDRCQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-4-14(11-5-7-12(16)8-6-11)18-15(19)13(9-17)10(2)3/h5-8,10,13-14H,4,9,17H2,1-3H3,(H,18,19).
What are the key properties of 2-(aminomethyl)-N-[1-(4-bromophenyl)propyl]-3-methylbutanamide?
2-(aminomethyl)-N-[1-(4-bromophenyl)propyl]-3-methylbutanamide has a molecular weight of 327.27 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[1-(4-bromophenyl)propyl]-3-methylbutanamide is sourced from PubChem (CID 65224708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).