2-(aminomethyl)-N-[1-(4-bromophenyl)ethyl]butanamide

C13H19BrN2O — CID 65228834

IUPAC2-(aminomethyl)-N-[1-(4-bromophenyl)ethyl]butanamide
SMILESCCC(CN)C(=O)NC(C)c1ccc(Br)cc1
InChIInChI=1S/C13H19BrN2O/c1-3-10(8-15)13(17)16-9(2)11-4-6-12(14)7-5-11/h4-7,9-10H,3,8,15H2,1-2H3,(H,16,17)
InChIKeyILBKVGYBHCXYQS-UHFFFAOYSA-N
MW299.21 g/mol
LogP2.61
Rot. Bonds5

About 2-(aminomethyl)-N-[1-(4-bromophenyl)ethyl]butanamide

2-(aminomethyl)-N-[1-(4-bromophenyl)ethyl]butanamide (PubChem CID 65228834) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[1-(4-bromophenyl)ethyl]butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[1-(4-bromophenyl)ethyl]butanamide
PubChem CID65228834
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name2-(aminomethyl)-N-[1-(4-bromophenyl)ethyl]butanamide
SMILESCCC(CN)C(=O)NC(C)c1ccc(Br)cc1
InChIInChI=1S/C13H19BrN2O/c1-3-10(8-15)13(17)16-9(2)11-4-6-12(14)7-5-11/h4-7,9-10H,3,8,15H2,1-2H3,(H,16,17)
InChIKeyILBKVGYBHCXYQS-UHFFFAOYSA-N
XLogP2.61
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-N-[(1S)-1-(4-bromophenyl)ethyl]-4-methylpentanamide
CID 81359365
2-(aminomethyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]butanamide
CID 81354281
2-(aminomethyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]butanamide
CID 81354622
2-(aminomethyl)-N-[1-(4-methylsulfanylphenyl)ethyl]butanamide
CID 65224904
(2R)-2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]butanamide
CID 81359924
2-(aminomethyl)-N-[(1S)-1-(4-bromophenyl)ethyl]-3-methylbutanamide
CID 81360072
3-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methoxypropanamide
CID 114145152
(2R)-2-amino-N-[(1R)-1-(4-bromophenyl)ethyl]propanamide
CID 81359677
2-amino-N-[1-(4-bromophenyl)ethyl]propanamide
CID 60718990
(2R)-2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]propanamide
CID 81359524
(2S)-2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-3-methylbutanamide
CID 81359997
2-(aminomethyl)-N-[(1R)-1-pyridin-3-ylethyl]butanamide
CID 81405062

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[1-(4-bromophenyl)ethyl]butanamide?
The IUPAC name of 2-(aminomethyl)-N-[1-(4-bromophenyl)ethyl]butanamide (CID 65228834) is 2-(aminomethyl)-N-[1-(4-bromophenyl)ethyl]butanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[1-(4-bromophenyl)ethyl]butanamide?
The canonical SMILES for 2-(aminomethyl)-N-[1-(4-bromophenyl)ethyl]butanamide is CCC(CN)C(=O)NC(C)c1ccc(Br)cc1.
What is the InChIKey of 2-(aminomethyl)-N-[1-(4-bromophenyl)ethyl]butanamide?
The InChIKey is ILBKVGYBHCXYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-3-10(8-15)13(17)16-9(2)11-4-6-12(14)7-5-11/h4-7,9-10H,3,8,15H2,1-2H3,(H,16,17).
What are the key properties of 2-(aminomethyl)-N-[1-(4-bromophenyl)ethyl]butanamide?
2-(aminomethyl)-N-[1-(4-bromophenyl)ethyl]butanamide has a molecular weight of 299.21 g/mol, XLogP of 2.61, 5 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)ethyl]butanamide is sourced from PubChem (CID 65228834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).