1-cyclohexyl-N-ethyl-3-(2-nitrophenyl)propan-2-amine

C17H26N2O2 — CID 61064433

IUPAC1-cyclohexyl-N-ethyl-3-(2-nitrophenyl)propan-2-amine
SMILESCCNC(Cc1ccccc1[N+](=O)[O-])CC1CCCCC1
InChIInChI=1S/C17H26N2O2/c1-2-18-16(12-14-8-4-3-5-9-14)13-15-10-6-7-11-17(15)19(20)21/h6-7,10-11,14,16,18H,2-5,8-9,12-13H2,1H3
InChIKeyOALPABRBQIYYDD-UHFFFAOYSA-N
MW290.41 g/mol
LogP4.09
Rot. Bonds7

About 1-cyclohexyl-N-ethyl-3-(2-nitrophenyl)propan-2-amine

1-cyclohexyl-N-ethyl-3-(2-nitrophenyl)propan-2-amine (PubChem CID 61064433) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-cyclohexyl-N-ethyl-3-(2-nitrophenyl)propan-2-amine.

Molecular Properties

Compound Name1-cyclohexyl-N-ethyl-3-(2-nitrophenyl)propan-2-amine
PubChem CID61064433
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-cyclohexyl-N-ethyl-3-(2-nitrophenyl)propan-2-amine
SMILESCCNC(Cc1ccccc1[N+](=O)[O-])CC1CCCCC1
InChIInChI=1S/C17H26N2O2/c1-2-18-16(12-14-8-4-3-5-9-14)13-15-10-6-7-11-17(15)19(20)21/h6-7,10-11,14,16,18H,2-5,8-9,12-13H2,1H3
InChIKeyOALPABRBQIYYDD-UHFFFAOYSA-N
XLogP4.09
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 54.09
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-cyclohexyl-N-ethyl-3-(2-nitrophenyl)propan-2-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

1-(2-chlorophenyl)-3-cyclohexyl-N-ethylpropan-2-amine
CID 63415363
[2-chloro-3-(2-nitrophenyl)propyl]cycloheptane
CID 114458957
4-cyclohexyl-N-methyl-1-(2-nitrophenyl)butan-2-amine
CID 61080065
1-cyclohexyl-N-ethyl-3-phenylpropan-2-amine
CID 55188118
1-(2-bromo-2-cyclohexylethyl)-2-nitrobenzene
CID 63544135
N-(cyclohexylmethyl)-2-(2-nitrophenyl)-1-phenylethanamine;hydrochloride
CID 12915162
(1R)-1-cyclohexyl-N-[(2-nitrophenyl)methyl]ethanamine
CID 81384906
1-(2-bromo-3-fluorophenyl)-3-cyclohexyl-N-ethylpropan-2-amine
CID 105020439
1-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(2-nitrophenyl)ethanamine
CID 64904556
1-(2-chloro-4-cyclohexylbutyl)-2-nitrobenzene
CID 63519722
1-(2-bromo-3-fluorophenyl)-3-cyclopentyl-N-ethylpropan-2-amine
CID 105020430
N-ethyl-2-(2-nitrophenyl)-1-phenylethanamine
CID 12915155

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-ethyl-3-(2-nitrophenyl)propan-2-amine?
The IUPAC name of 1-cyclohexyl-N-ethyl-3-(2-nitrophenyl)propan-2-amine (CID 61064433) is 1-cyclohexyl-N-ethyl-3-(2-nitrophenyl)propan-2-amine.
What is the SMILES notation for 1-cyclohexyl-N-ethyl-3-(2-nitrophenyl)propan-2-amine?
The canonical SMILES for 1-cyclohexyl-N-ethyl-3-(2-nitrophenyl)propan-2-amine is CCNC(Cc1ccccc1[N+](=O)[O-])CC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-ethyl-3-(2-nitrophenyl)propan-2-amine?
The InChIKey is OALPABRBQIYYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-2-18-16(12-14-8-4-3-5-9-14)13-15-10-6-7-11-17(15)19(20)21/h6-7,10-11,14,16,18H,2-5,8-9,12-13H2,1H3.
What are the key properties of 1-cyclohexyl-N-ethyl-3-(2-nitrophenyl)propan-2-amine?
1-cyclohexyl-N-ethyl-3-(2-nitrophenyl)propan-2-amine has a molecular weight of 290.41 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-ethyl-3-(2-nitrophenyl)propan-2-amine is sourced from PubChem (CID 61064433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).