4-amino-N-[2-(5-bromo-2-methylphenyl)ethyl]-3-methylbutanamide

C14H21BrN2O — CID 115156460

IUPAC4-amino-N-[2-(5-bromo-2-methylphenyl)ethyl]-3-methylbutanamide
SMILESCc1ccc(Br)cc1CCNC(=O)CC(C)CN
InChIInChI=1S/C14H21BrN2O/c1-10(9-16)7-14(18)17-6-5-12-8-13(15)4-3-11(12)2/h3-4,8,10H,5-7,9,16H2,1-2H3,(H,17,18)
InChIKeyLBDSMKSUOKSPOI-UHFFFAOYSA-N
MW313.24 g/mol
LogP2.40
Rot. Bonds6

About 4-amino-N-[2-(5-bromo-2-methylphenyl)ethyl]-3-methylbutanamide

4-amino-N-[2-(5-bromo-2-methylphenyl)ethyl]-3-methylbutanamide (PubChem CID 115156460) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is 4-amino-N-[2-(5-bromo-2-methylphenyl)ethyl]-3-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-[2-(5-bromo-2-methylphenyl)ethyl]-3-methylbutanamide
PubChem CID115156460
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Name4-amino-N-[2-(5-bromo-2-methylphenyl)ethyl]-3-methylbutanamide
SMILESCc1ccc(Br)cc1CCNC(=O)CC(C)CN
InChIInChI=1S/C14H21BrN2O/c1-10(9-16)7-14(18)17-6-5-12-8-13(15)4-3-11(12)2/h3-4,8,10H,5-7,9,16H2,1-2H3,(H,17,18)
InChIKeyLBDSMKSUOKSPOI-UHFFFAOYSA-N
XLogP2.40
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[2-(5-bromo-2-methylphenyl)ethyl]-2-methylpropane-1,3-diamine
CID 115198789
N-[2-(5-bromo-2-methylphenyl)ethyl]-4-oxopentanamide
CID 115176955
4-amino-N-[(2,5-dimethylphenyl)methyl]-3-methylbutanamide
CID 115156350
2-amino-3-[2-(5-bromo-2-methylphenyl)ethylamino]-3-oxopropanoic acid
CID 115179465
4-amino-N-[2-(5-bromo-2-methylphenyl)ethyl]-4-methylpentanamide
CID 115157613
5-[2-(5-bromo-2-methylphenyl)ethylamino]-5-oxopentanoic acid
CID 115163884
3-amino-N-[2-(5-bromo-2-fluorophenyl)ethyl]butanamide;hydrochloride
CID 119745625
4-amino-3-methyl-N-(2-phenylethyl)butanamide
CID 81070116
1-amino-N-[2-(5-bromo-2-methylphenyl)ethyl]cyclopropane-1-carboxamide
CID 115189978
2-[2-(5-bromo-2-methylphenyl)ethylcarbamoyl]butanoic acid
CID 115186061
ethyl 2-[2-(5-bromo-2-methylphenyl)ethylamino]-2-oxoacetate
CID 115142069
4-amino-N-[2-(2-methoxyphenyl)ethyl]-3-methylbutanamide
CID 113266036

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(5-bromo-2-methylphenyl)ethyl]-3-methylbutanamide?
The IUPAC name of 4-amino-N-[2-(5-bromo-2-methylphenyl)ethyl]-3-methylbutanamide (CID 115156460) is 4-amino-N-[2-(5-bromo-2-methylphenyl)ethyl]-3-methylbutanamide.
What is the SMILES notation for 4-amino-N-[2-(5-bromo-2-methylphenyl)ethyl]-3-methylbutanamide?
The canonical SMILES for 4-amino-N-[2-(5-bromo-2-methylphenyl)ethyl]-3-methylbutanamide is Cc1ccc(Br)cc1CCNC(=O)CC(C)CN.
What is the InChIKey of 4-amino-N-[2-(5-bromo-2-methylphenyl)ethyl]-3-methylbutanamide?
The InChIKey is LBDSMKSUOKSPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-10(9-16)7-14(18)17-6-5-12-8-13(15)4-3-11(12)2/h3-4,8,10H,5-7,9,16H2,1-2H3,(H,17,18).
What are the key properties of 4-amino-N-[2-(5-bromo-2-methylphenyl)ethyl]-3-methylbutanamide?
4-amino-N-[2-(5-bromo-2-methylphenyl)ethyl]-3-methylbutanamide has a molecular weight of 313.24 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(5-bromo-2-methylphenyl)ethyl]-3-methylbutanamide is sourced from PubChem (CID 115156460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).