(1R)-1-cyclohexyl-N-[(4-nitrophenyl)methyl]ethanamine

C15H22N2O2 — CID 81384909

IUPAC(1R)-1-cyclohexyl-N-[(4-nitrophenyl)methyl]ethanamine
SMILESC[C@@H](NCc1ccc([N+](=O)[O-])cc1)C1CCCCC1
InChIInChI=1S/C15H22N2O2/c1-12(14-5-3-2-4-6-14)16-11-13-7-9-15(10-8-13)17(18)19/h7-10,12,14,16H,2-6,11H2,1H3/t12-/m1/s1
InChIKeyGRQMSLTYBHXUNT-GFCCVEGCSA-N
MW262.35 g/mol
LogP3.65
Rot. Bonds5

About (1R)-1-cyclohexyl-N-[(4-nitrophenyl)methyl]ethanamine

(1R)-1-cyclohexyl-N-[(4-nitrophenyl)methyl]ethanamine (PubChem CID 81384909) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (1R)-1-cyclohexyl-N-[(4-nitrophenyl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-cyclohexyl-N-[(4-nitrophenyl)methyl]ethanamine
PubChem CID81384909
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(1R)-1-cyclohexyl-N-[(4-nitrophenyl)methyl]ethanamine
SMILESC[C@@H](NCc1ccc([N+](=O)[O-])cc1)C1CCCCC1
InChIInChI=1S/C15H22N2O2/c1-12(14-5-3-2-4-6-14)16-11-13-7-9-15(10-8-13)17(18)19/h7-10,12,14,16H,2-6,11H2,1H3/t12-/m1/s1
InChIKeyGRQMSLTYBHXUNT-GFCCVEGCSA-N
XLogP3.65
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.65
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'}

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Related Compounds

1-(1-ethylpiperidin-3-yl)-N-[(4-nitrophenyl)methyl]ethanamine
CID 60875393
N-[(3-bromo-5-nitrophenyl)methyl]-1-cyclohexylethanamine
CID 103350758
(1R)-N-[(2-chloro-5-nitrophenyl)methyl]-1-cyclohexylethanamine
CID 81384193
(1R)-1-cyclohexyl-N-[(2-methoxy-5-nitrophenyl)methyl]ethanamine
CID 81388796
(1R)-N-[(4-bromophenyl)methyl]-1-cyclohexylethanamine
CID 81384290
(1S)-1-cycloheptyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 81390306
(1R)-1-cycloheptyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 81388470
1-cyclohexyl-N-[1-(4-nitrophenyl)ethyl]ethanamine
CID 62405360
(1R)-1-cyclohexyl-N-[(2-nitrophenyl)methyl]ethanamine
CID 81384906
(2S)-3-methyl-N-[(4-nitrophenyl)methyl]butan-2-amine
CID 28833402
4-[(1-cyclohexylethylamino)methyl]-N,N-dimethylaniline
CID 43769966
(1S)-1-cyclobutyl-N-[(4-methylphenyl)methyl]ethanamine
CID 118957385

Frequently Asked Questions

What is the IUPAC name of (1R)-1-cyclohexyl-N-[(4-nitrophenyl)methyl]ethanamine?
The IUPAC name of (1R)-1-cyclohexyl-N-[(4-nitrophenyl)methyl]ethanamine (CID 81384909) is (1R)-1-cyclohexyl-N-[(4-nitrophenyl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-cyclohexyl-N-[(4-nitrophenyl)methyl]ethanamine?
The canonical SMILES for (1R)-1-cyclohexyl-N-[(4-nitrophenyl)methyl]ethanamine is C[C@@H](NCc1ccc([N+](=O)[O-])cc1)C1CCCCC1.
What is the InChIKey of (1R)-1-cyclohexyl-N-[(4-nitrophenyl)methyl]ethanamine?
The InChIKey is GRQMSLTYBHXUNT-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-12(14-5-3-2-4-6-14)16-11-13-7-9-15(10-8-13)17(18)19/h7-10,12,14,16H,2-6,11H2,1H3/t12-/m1/s1.
What are the key properties of (1R)-1-cyclohexyl-N-[(4-nitrophenyl)methyl]ethanamine?
(1R)-1-cyclohexyl-N-[(4-nitrophenyl)methyl]ethanamine has a molecular weight of 262.35 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-cyclohexyl-N-[(4-nitrophenyl)methyl]ethanamine is sourced from PubChem (CID 81384909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).