2-(aminomethyl)-N-(4-bromo-3-methylphenyl)-4,4-dimethylpentanamide

C15H23BrN2O — CID 107470961

IUPAC2-(aminomethyl)-N-(4-bromo-3-methylphenyl)-4,4-dimethylpentanamide
SMILESCc1cc(NC(=O)C(CN)CC(C)(C)C)ccc1Br
InChIInChI=1S/C15H23BrN2O/c1-10-7-12(5-6-13(10)16)18-14(19)11(9-17)8-15(2,3)4/h5-7,11H,8-9,17H2,1-4H3,(H,18,19)
InChIKeyRTLMYRXZLVVPPD-UHFFFAOYSA-N
MW327.27 g/mol
LogP3.71
Rot. Bonds4

About 2-(aminomethyl)-N-(4-bromo-3-methylphenyl)-4,4-dimethylpentanamide

2-(aminomethyl)-N-(4-bromo-3-methylphenyl)-4,4-dimethylpentanamide (PubChem CID 107470961) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(4-bromo-3-methylphenyl)-4,4-dimethylpentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(4-bromo-3-methylphenyl)-4,4-dimethylpentanamide
PubChem CID107470961
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name2-(aminomethyl)-N-(4-bromo-3-methylphenyl)-4,4-dimethylpentanamide
SMILESCc1cc(NC(=O)C(CN)CC(C)(C)C)ccc1Br
InChIInChI=1S/C15H23BrN2O/c1-10-7-12(5-6-13(10)16)18-14(19)11(9-17)8-15(2,3)4/h5-7,11H,8-9,17H2,1-4H3,(H,18,19)
InChIKeyRTLMYRXZLVVPPD-UHFFFAOYSA-N
XLogP3.71
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-N-(3-hydroxy-4-methylphenyl)-4,4-dimethylpentanamide
CID 107701269
2-amino-N-(4-bromo-3-methylphenyl)-3,3-dimethylbutanamide
CID 76891825
N-(4-bromo-3-methylphenyl)-3,5,5-trimethylhexanamide
CID 43321101
2-(aminomethyl)-4,4-dimethyl-N-(2-methyl-4-pyridinyl)pentanamide
CID 107472380
2-(aminomethyl)-N-(2-bromo-5-fluorophenyl)-4,4-dimethylpentanamide
CID 107625734
2-(aminomethyl)-N-(1-benzothiophen-5-yl)-4,4-dimethylpentanamide
CID 107471323
2-bromo-N-(4-bromo-3-methylphenyl)propanamide
CID 12708491
N-(4-bromo-3-methylphenyl)-2-hydroxypropanamide
CID 82132450
2-(aminomethyl)-N-[3-(dimethylamino)phenyl]-4,4-dimethylpentanamide
CID 107472557
N-(4-bromo-3-methylphenyl)-4-(2-ethylbutanoylamino)benzamide
CID 17309171
(2S)-2-amino-N-(4-bromo-3-methylphenyl)-3-phenylpropanamide
CID 22691303
2-(aminomethyl)-N-[4-[(dimethylamino)methyl]phenyl]-4,4-dimethylpentanamide
CID 107471403

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(4-bromo-3-methylphenyl)-4,4-dimethylpentanamide?
The IUPAC name of 2-(aminomethyl)-N-(4-bromo-3-methylphenyl)-4,4-dimethylpentanamide (CID 107470961) is 2-(aminomethyl)-N-(4-bromo-3-methylphenyl)-4,4-dimethylpentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(4-bromo-3-methylphenyl)-4,4-dimethylpentanamide?
The canonical SMILES for 2-(aminomethyl)-N-(4-bromo-3-methylphenyl)-4,4-dimethylpentanamide is Cc1cc(NC(=O)C(CN)CC(C)(C)C)ccc1Br.
What is the InChIKey of 2-(aminomethyl)-N-(4-bromo-3-methylphenyl)-4,4-dimethylpentanamide?
The InChIKey is RTLMYRXZLVVPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-10-7-12(5-6-13(10)16)18-14(19)11(9-17)8-15(2,3)4/h5-7,11H,8-9,17H2,1-4H3,(H,18,19).
What are the key properties of 2-(aminomethyl)-N-(4-bromo-3-methylphenyl)-4,4-dimethylpentanamide?
2-(aminomethyl)-N-(4-bromo-3-methylphenyl)-4,4-dimethylpentanamide has a molecular weight of 327.27 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(4-bromo-3-methylphenyl)-4,4-dimethylpentanamide is sourced from PubChem (CID 107470961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).