N-[[1-(aminomethyl)cyclopropyl]methyl]-4-(4-bromophenyl)-N-methylbutanamide

C16H23BrN2O — CID 115272725

IUPACN-[[1-(aminomethyl)cyclopropyl]methyl]-4-(4-bromophenyl)-N-methylbutanamide
SMILESCN(CC1(CN)CC1)C(=O)CCCc1ccc(Br)cc1
InChIInChI=1S/C16H23BrN2O/c1-19(12-16(11-18)9-10-16)15(20)4-2-3-13-5-7-14(17)8-6-13/h5-8H,2-4,9-12,18H2,1H3
InChIKeyXNJHGHLZLVOUIF-UHFFFAOYSA-N
MW339.28 g/mol
LogP2.97
Rot. Bonds7

About N-[[1-(aminomethyl)cyclopropyl]methyl]-4-(4-bromophenyl)-N-methylbutanamide

N-[[1-(aminomethyl)cyclopropyl]methyl]-4-(4-bromophenyl)-N-methylbutanamide (PubChem CID 115272725) has the molecular formula C16H23BrN2O and a molecular weight of 339.28 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopropyl]methyl]-4-(4-bromophenyl)-N-methylbutanamide.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopropyl]methyl]-4-(4-bromophenyl)-N-methylbutanamide
PubChem CID115272725
Molecular FormulaC16H23BrN2O
Molecular Weight339.28 g/mol
Exact Mass338.10
IUPAC NameN-[[1-(aminomethyl)cyclopropyl]methyl]-4-(4-bromophenyl)-N-methylbutanamide
SMILESCN(CC1(CN)CC1)C(=O)CCCc1ccc(Br)cc1
InChIInChI=1S/C16H23BrN2O/c1-19(12-16(11-18)9-10-16)15(20)4-2-3-13-5-7-14(17)8-6-13/h5-8H,2-4,9-12,18H2,1H3
InChIKeyXNJHGHLZLVOUIF-UHFFFAOYSA-N
XLogP2.97
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-4-(1H-pyrrol-3-yl)butanamide
CID 115272233
4-(4-bromophenyl)-N,N-dimethylbutanamide
CID 158418152
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(5-bromo-2-fluorophenyl)-N-methylacetamide
CID 115272674
N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-3-(3-methylphenyl)propanamide
CID 115272703
7-amino-N-[2-(4-bromophenyl)ethyl]-N-methylheptanamide
CID 119771019
N-[[1-(aminomethyl)cyclopropyl]methyl]-3-(3-fluorophenyl)-N-methylpropanamide
CID 115272705
2-[1-(aminomethyl)cyclohexyl]-N-[(4-bromophenyl)methyl]-N-methylacetamide
CID 104677766
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2,4-difluorophenyl)-N-methylacetamide
CID 115272670
N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-2-(3-methylphenyl)acetamide
CID 115267710
4-(4-bromophenyl)-N-hydroxybutanamide
CID 139305557
4-(4-bromo(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)butanoic acid
CID 50940550
3-[3-(4-bromophenyl)propanoyl-methylamino]propanoic acid
CID 99849607

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-4-(4-bromophenyl)-N-methylbutanamide?
The IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-4-(4-bromophenyl)-N-methylbutanamide (CID 115272725) is N-[[1-(aminomethyl)cyclopropyl]methyl]-4-(4-bromophenyl)-N-methylbutanamide.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopropyl]methyl]-4-(4-bromophenyl)-N-methylbutanamide?
The canonical SMILES for N-[[1-(aminomethyl)cyclopropyl]methyl]-4-(4-bromophenyl)-N-methylbutanamide is CN(CC1(CN)CC1)C(=O)CCCc1ccc(Br)cc1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopropyl]methyl]-4-(4-bromophenyl)-N-methylbutanamide?
The InChIKey is XNJHGHLZLVOUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O/c1-19(12-16(11-18)9-10-16)15(20)4-2-3-13-5-7-14(17)8-6-13/h5-8H,2-4,9-12,18H2,1H3.
What are the key properties of N-[[1-(aminomethyl)cyclopropyl]methyl]-4-(4-bromophenyl)-N-methylbutanamide?
N-[[1-(aminomethyl)cyclopropyl]methyl]-4-(4-bromophenyl)-N-methylbutanamide has a molecular weight of 339.28 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopropyl]methyl]-4-(4-bromophenyl)-N-methylbutanamide is sourced from PubChem (CID 115272725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).