1-cyclopropyl-3-(2-methyl-3-nitrophenyl)-N-propylpropan-1-amine

C16H24N2O2 — CID 63355442

IUPAC1-cyclopropyl-3-(2-methyl-3-nitrophenyl)-N-propylpropan-1-amine
SMILESCCCNC(CCc1cccc([N+](=O)[O-])c1C)C1CC1
InChIInChI=1S/C16H24N2O2/c1-3-11-17-15(14-7-8-14)10-9-13-5-4-6-16(12(13)2)18(19)20/h4-6,14-15,17H,3,7-11H2,1-2H3
InChIKeyJLHZXYMXKPWPDQ-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.61
Rot. Bonds8

About 1-cyclopropyl-3-(2-methyl-3-nitrophenyl)-N-propylpropan-1-amine

1-cyclopropyl-3-(2-methyl-3-nitrophenyl)-N-propylpropan-1-amine (PubChem CID 63355442) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-cyclopropyl-3-(2-methyl-3-nitrophenyl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-cyclopropyl-3-(2-methyl-3-nitrophenyl)-N-propylpropan-1-amine
PubChem CID63355442
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-cyclopropyl-3-(2-methyl-3-nitrophenyl)-N-propylpropan-1-amine
SMILESCCCNC(CCc1cccc([N+](=O)[O-])c1C)C1CC1
InChIInChI=1S/C16H24N2O2/c1-3-11-17-15(14-7-8-14)10-9-13-5-4-6-16(12(13)2)18(19)20/h4-6,14-15,17H,3,7-11H2,1-2H3
InChIKeyJLHZXYMXKPWPDQ-UHFFFAOYSA-N
XLogP3.61
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.61
H-Bond Donors ≤ 51
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 1-cyclopropyl-3-(2-methyl-3-nitrophenyl)-N-propylpropan-1-amine 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

3-(4-bromo-2-nitrophenyl)-1-cyclopropyl-N-propylpropan-1-amine
CID 114382016
1-cyclopropyl-3-(3-nitrophenyl)-N-propylpropan-1-amine
CID 63355258
1-methoxy-4-(2-methyl-3-nitrophenyl)-N-propylbutan-2-amine
CID 62319650
1-cyclopropyl-N-methyl-3-(2-nitrophenyl)propan-1-amine
CID 63354955
3-(2-bromo-4-nitrophenyl)-1-cyclopropyl-N-propylpropan-1-amine
CID 63354973
1-cyclopropyl-3-(2-fluoro-3-nitrophenyl)-N-methylpropan-1-amine
CID 107350060
N-[(2-methyl-3-nitrophenyl)methyl]propan-1-amine
CID 43509035
1-cyclopropyl-3-(2,3-difluoro-4-methylphenyl)-N-propylpropan-1-amine
CID 107514366
N-[1-cyclopropyl-2-(5-fluoro-2-nitrophenyl)ethyl]propan-1-amine
CID 63355187
1-cyclopropyl-N-methyl-4-(2-nitrophenyl)butan-1-amine
CID 63355466
N-[1-cyclopropyl-2-(2-methyl-4-nitrophenyl)ethyl]propan-1-amine
CID 63355424
1-cyclohexyl-N-[(2-methyl-3-nitrophenyl)methyl]ethanamine
CID 62406103

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(2-methyl-3-nitrophenyl)-N-propylpropan-1-amine?
The IUPAC name of 1-cyclopropyl-3-(2-methyl-3-nitrophenyl)-N-propylpropan-1-amine (CID 63355442) is 1-cyclopropyl-3-(2-methyl-3-nitrophenyl)-N-propylpropan-1-amine.
What is the SMILES notation for 1-cyclopropyl-3-(2-methyl-3-nitrophenyl)-N-propylpropan-1-amine?
The canonical SMILES for 1-cyclopropyl-3-(2-methyl-3-nitrophenyl)-N-propylpropan-1-amine is CCCNC(CCc1cccc([N+](=O)[O-])c1C)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-(2-methyl-3-nitrophenyl)-N-propylpropan-1-amine?
The InChIKey is JLHZXYMXKPWPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-11-17-15(14-7-8-14)10-9-13-5-4-6-16(12(13)2)18(19)20/h4-6,14-15,17H,3,7-11H2,1-2H3.
What are the key properties of 1-cyclopropyl-3-(2-methyl-3-nitrophenyl)-N-propylpropan-1-amine?
1-cyclopropyl-3-(2-methyl-3-nitrophenyl)-N-propylpropan-1-amine has a molecular weight of 276.38 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(2-methyl-3-nitrophenyl)-N-propylpropan-1-amine is sourced from PubChem (CID 63355442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).