2-(aminomethyl)-N-[(3-bromophenyl)methyl]pentanamide

C13H19BrN2O — CID 65229446

IUPAC2-(aminomethyl)-N-[(3-bromophenyl)methyl]pentanamide
SMILESCCCC(CN)C(=O)NCc1cccc(Br)c1
InChIInChI=1S/C13H19BrN2O/c1-2-4-11(8-15)13(17)16-9-10-5-3-6-12(14)7-10/h3,5-7,11H,2,4,8-9,15H2,1H3,(H,16,17)
InChIKeyXMGDZPKIHHASMB-UHFFFAOYSA-N
MW299.21 g/mol
LogP2.44
Rot. Bonds6

About 2-(aminomethyl)-N-[(3-bromophenyl)methyl]pentanamide

2-(aminomethyl)-N-[(3-bromophenyl)methyl]pentanamide (PubChem CID 65229446) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(3-bromophenyl)methyl]pentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(3-bromophenyl)methyl]pentanamide
PubChem CID65229446
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name2-(aminomethyl)-N-[(3-bromophenyl)methyl]pentanamide
SMILESCCCC(CN)C(=O)NCc1cccc(Br)c1
InChIInChI=1S/C13H19BrN2O/c1-2-4-11(8-15)13(17)16-9-10-5-3-6-12(14)7-10/h3,5-7,11H,2,4,8-9,15H2,1H3,(H,16,17)
InChIKeyXMGDZPKIHHASMB-UHFFFAOYSA-N
XLogP2.44
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-N-[(3-chlorophenyl)methyl]pentanamide
CID 65226161
2-(aminomethyl)-N-[(3-nitrophenyl)methyl]pentanamide
CID 65227942
(2S)-2-amino-N-[(3-bromophenyl)methyl]hexanamide
CID 103831227
(2S)-2-amino-N-[(3-bromophenyl)methyl]butanamide;hydrochloride
CID 119279834
N-[[3-(hydroxymethyl)phenyl]methyl]-2-propylpentanamide
CID 115532885
2-(aminomethyl)-N-[2-(benzylamino)-2-oxoethyl]pentanamide
CID 65227019
N-[[4-(aminomethyl)phenyl]methyl]-2-propylpentanamide
CID 82984622
2-amino-N-[(3-bromophenyl)methyl]-5-methoxypentanamide
CID 81089386
(2R)-2-amino-N-[(3-bromophenyl)methyl]-3-hydroxypropanamide;hydrochloride
CID 142480144
2-(aminomethyl)-N-[(6-methyl-3-pyridinyl)methyl]pentanamide
CID 62997308
2-[(3-bromophenyl)methyl]pentanoyl chloride
CID 150172455
N-[(3-bromophenyl)methyl]-4-propan-2-ylbenzamide
CID 60739701

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(3-bromophenyl)methyl]pentanamide?
The IUPAC name of 2-(aminomethyl)-N-[(3-bromophenyl)methyl]pentanamide (CID 65229446) is 2-(aminomethyl)-N-[(3-bromophenyl)methyl]pentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(3-bromophenyl)methyl]pentanamide?
The canonical SMILES for 2-(aminomethyl)-N-[(3-bromophenyl)methyl]pentanamide is CCCC(CN)C(=O)NCc1cccc(Br)c1.
What is the InChIKey of 2-(aminomethyl)-N-[(3-bromophenyl)methyl]pentanamide?
The InChIKey is XMGDZPKIHHASMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-2-4-11(8-15)13(17)16-9-10-5-3-6-12(14)7-10/h3,5-7,11H,2,4,8-9,15H2,1H3,(H,16,17).
What are the key properties of 2-(aminomethyl)-N-[(3-bromophenyl)methyl]pentanamide?
2-(aminomethyl)-N-[(3-bromophenyl)methyl]pentanamide has a molecular weight of 299.21 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(3-bromophenyl)methyl]pentanamide is sourced from PubChem (CID 65229446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).