N-[(4-bromo-3-nitrophenyl)methyl]-N-(2-methylpropyl)cyclopropanamine

C14H19BrN2O2 — CID 115557701

IUPACN-[(4-bromo-3-nitrophenyl)methyl]-N-(2-methylpropyl)cyclopropanamine
SMILESCC(C)CN(Cc1ccc(Br)c([N+](=O)[O-])c1)C1CC1
InChIInChI=1S/C14H19BrN2O2/c1-10(2)8-16(12-4-5-12)9-11-3-6-13(15)14(7-11)17(18)19/h3,6-7,10,12H,4-5,8-9H2,1-2H3
InChIKeyAYPNIHDCKSCLKB-UHFFFAOYSA-N
MW327.22 g/mol
LogP3.98
Rot. Bonds6

About N-[(4-bromo-3-nitrophenyl)methyl]-N-(2-methylpropyl)cyclopropanamine

N-[(4-bromo-3-nitrophenyl)methyl]-N-(2-methylpropyl)cyclopropanamine (PubChem CID 115557701) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is N-[(4-bromo-3-nitrophenyl)methyl]-N-(2-methylpropyl)cyclopropanamine.

Molecular Properties

Compound NameN-[(4-bromo-3-nitrophenyl)methyl]-N-(2-methylpropyl)cyclopropanamine
PubChem CID115557701
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC NameN-[(4-bromo-3-nitrophenyl)methyl]-N-(2-methylpropyl)cyclopropanamine
SMILESCC(C)CN(Cc1ccc(Br)c([N+](=O)[O-])c1)C1CC1
InChIInChI=1S/C14H19BrN2O2/c1-10(2)8-16(12-4-5-12)9-11-3-6-13(15)14(7-11)17(18)19/h3,6-7,10,12H,4-5,8-9H2,1-2H3
InChIKeyAYPNIHDCKSCLKB-UHFFFAOYSA-N
XLogP3.98
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(4-bromo-3-nitrophenyl)methyl]-N-(2-methylpropyl)cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-chloro-3-nitrophenyl)methyl]-N-(3-methylbutyl)cyclopropanamine
CID 78974069
N-[(2-bromo-3-nitrophenyl)methyl]-N-(2-methylpropyl)cyclopropanamine
CID 114048651
N-[(4-bromophenyl)methyl]-N-(2-methylpropyl)cyclopropanamine
CID 60733586
N-[(4-bromo-3-nitrophenyl)methyl]-2,2-difluoro-N-methylethanamine
CID 115882440
N-[(4-bromo-3-nitrophenyl)methyl]-N-ethylbutan-2-amine
CID 113335257
N-[(4-bromo-3-nitrophenyl)methyl]-3-methylbutan-1-amine
CID 43222762
1-[(4-bromo-3-nitrophenyl)methyl]-4-methylpiperidine
CID 113335244
N-[(4-bromo-3-nitrophenyl)methyl]-N-butan-2-ylbutan-1-amine
CID 115557705
4-bromo-N-cyclopropyl-N-(2-methylpropyl)-2-nitroaniline
CID 63463503
N-butyl-N-[(4-chloro-3-nitrophenyl)methyl]cyclopropanamine
CID 61441186
5-[[cyclopropyl(2-methylpropyl)amino]methyl]-2-methoxybenzoic acid
CID 65339032
N-[(4-bromo-3-nitrophenyl)methyl]-3-methylbutan-2-amine
CID 43223292

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-3-nitrophenyl)methyl]-N-(2-methylpropyl)cyclopropanamine?
The IUPAC name of N-[(4-bromo-3-nitrophenyl)methyl]-N-(2-methylpropyl)cyclopropanamine (CID 115557701) is N-[(4-bromo-3-nitrophenyl)methyl]-N-(2-methylpropyl)cyclopropanamine.
What is the SMILES notation for N-[(4-bromo-3-nitrophenyl)methyl]-N-(2-methylpropyl)cyclopropanamine?
The canonical SMILES for N-[(4-bromo-3-nitrophenyl)methyl]-N-(2-methylpropyl)cyclopropanamine is CC(C)CN(Cc1ccc(Br)c([N+](=O)[O-])c1)C1CC1.
What is the InChIKey of N-[(4-bromo-3-nitrophenyl)methyl]-N-(2-methylpropyl)cyclopropanamine?
The InChIKey is AYPNIHDCKSCLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-10(2)8-16(12-4-5-12)9-11-3-6-13(15)14(7-11)17(18)19/h3,6-7,10,12H,4-5,8-9H2,1-2H3.
What are the key properties of N-[(4-bromo-3-nitrophenyl)methyl]-N-(2-methylpropyl)cyclopropanamine?
N-[(4-bromo-3-nitrophenyl)methyl]-N-(2-methylpropyl)cyclopropanamine has a molecular weight of 327.22 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-3-nitrophenyl)methyl]-N-(2-methylpropyl)cyclopropanamine is sourced from PubChem (CID 115557701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).