1-(aminomethyl)-N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]cyclopropane-1-carboxamide

C16H23BrN2O — CID 115182837

IUPAC1-(aminomethyl)-N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]cyclopropane-1-carboxamide
SMILESCc1ccc(Br)cc1C(C)(C)CNC(=O)C1(CN)CC1
InChIInChI=1S/C16H23BrN2O/c1-11-4-5-12(17)8-13(11)15(2,3)10-19-14(20)16(9-18)6-7-16/h4-5,8H,6-7,9-10,18H2,1-3H3,(H,19,20)
InChIKeyGYLZTHBAMSDVGC-UHFFFAOYSA-N
MW339.28 g/mol
LogP2.89
Rot. Bonds5

About 1-(aminomethyl)-N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]cyclopropane-1-carboxamide

1-(aminomethyl)-N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]cyclopropane-1-carboxamide (PubChem CID 115182837) has the molecular formula C16H23BrN2O and a molecular weight of 339.28 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]cyclopropane-1-carboxamide
PubChem CID115182837
Molecular FormulaC16H23BrN2O
Molecular Weight339.28 g/mol
Exact Mass338.10
IUPAC Name1-(aminomethyl)-N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]cyclopropane-1-carboxamide
SMILESCc1ccc(Br)cc1C(C)(C)CNC(=O)C1(CN)CC1
InChIInChI=1S/C16H23BrN2O/c1-11-4-5-12(17)8-13(11)15(2,3)10-19-14(20)16(9-18)6-7-16/h4-5,8H,6-7,9-10,18H2,1-3H3,(H,19,20)
InChIKeyGYLZTHBAMSDVGC-UHFFFAOYSA-N
XLogP2.89
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]-2-methylpropanamide
CID 115152831
N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]-2-oxopropanamide
CID 115176137
1-amino-N-[2-(2,5-dimethylphenyl)-2-methylpropyl]cyclopropane-1-carboxamide
CID 115190062
N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]-2-cyano-2-methylpropanamide
CID 115175276
3-amino-N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]cyclobutane-1-carboxamide
CID 115161764
N-[2-(4-bromophenyl)-2-methylpropyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide
CID 115182484
N-[2-(3-bromophenyl)-2-methylpropyl]-1-(methylaminomethyl)cyclopropane-1-carboxamide
CID 115183179
3-[[2-(5-bromo-2-methylphenyl)-2-methylpropyl]amino]propanoic acid
CID 115218391
1-(aminomethyl)-N-(4-bromo-2-methylphenyl)cyclopentane-1-carboxamide
CID 81484278
1-(aminomethyl)-N-(5-tert-butyl-2-methylphenyl)cyclopropane-1-carboxamide
CID 115182511
4-amino-2-(5-bromo-2-methylphenyl)butan-2-ol
CID 83732603
1-(aminomethyl)-N-(2-methoxy-2-methylpropyl)cyclopropane-1-carboxamide
CID 104759874

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]cyclopropane-1-carboxamide (CID 115182837) is 1-(aminomethyl)-N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]cyclopropane-1-carboxamide is Cc1ccc(Br)cc1C(C)(C)CNC(=O)C1(CN)CC1.
What is the InChIKey of 1-(aminomethyl)-N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]cyclopropane-1-carboxamide?
The InChIKey is GYLZTHBAMSDVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O/c1-11-4-5-12(17)8-13(11)15(2,3)10-19-14(20)16(9-18)6-7-16/h4-5,8H,6-7,9-10,18H2,1-3H3,(H,19,20).
What are the key properties of 1-(aminomethyl)-N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]cyclopropane-1-carboxamide?
1-(aminomethyl)-N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]cyclopropane-1-carboxamide has a molecular weight of 339.28 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 115182837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).