(1R)-1-cyclohexyl-N-[(2-nitrophenyl)methyl]ethanamine

C15H22N2O2 — CID 81384906

IUPAC(1R)-1-cyclohexyl-N-[(2-nitrophenyl)methyl]ethanamine
SMILESC[C@@H](NCc1ccccc1[N+](=O)[O-])C1CCCCC1
InChIInChI=1S/C15H22N2O2/c1-12(13-7-3-2-4-8-13)16-11-14-9-5-6-10-15(14)17(18)19/h5-6,9-10,12-13,16H,2-4,7-8,11H2,1H3/t12-/m1/s1
InChIKeyDGPQRZLQGKGWTJ-GFCCVEGCSA-N
MW262.35 g/mol
LogP3.65
Rot. Bonds5

About (1R)-1-cyclohexyl-N-[(2-nitrophenyl)methyl]ethanamine

(1R)-1-cyclohexyl-N-[(2-nitrophenyl)methyl]ethanamine (PubChem CID 81384906) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (1R)-1-cyclohexyl-N-[(2-nitrophenyl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-cyclohexyl-N-[(2-nitrophenyl)methyl]ethanamine
PubChem CID81384906
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(1R)-1-cyclohexyl-N-[(2-nitrophenyl)methyl]ethanamine
SMILESC[C@@H](NCc1ccccc1[N+](=O)[O-])C1CCCCC1
InChIInChI=1S/C15H22N2O2/c1-12(13-7-3-2-4-8-13)16-11-14-9-5-6-10-15(14)17(18)19/h5-6,9-10,12-13,16H,2-4,7-8,11H2,1H3/t12-/m1/s1
InChIKeyDGPQRZLQGKGWTJ-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-cyclohexyl-N-[(2-methyl-3-nitrophenyl)methyl]ethanamine
CID 62406103
(1R)-1-cyclohexyl-N-[(2-methyl-3-nitrophenyl)methyl]ethanamine
CID 81385412
N-[(2-nitrophenyl)methyl]-1-(oxan-4-yl)ethanamine
CID 103901284
(1S)-1-cyclopentyl-N-[(2-fluoro-3-nitrophenyl)methyl]ethanamine
CID 107349341
(1R)-N-[(4-chloro-2-nitrophenyl)methyl]-1-cyclohexylethanamine
CID 81384533
(1R)-N-[(4-bromo-2-nitrophenyl)methyl]-1-cyclopentylethanamine
CID 104916362
(1S)-N-[(2-chloro-6-nitrophenyl)methyl]-1-cyclopentylethanamine
CID 81394826
2-[[[(1S)-1-cyclopentylethyl]amino]methyl]phenol
CID 81386738
N-[(2-bromophenyl)methyl]-1-cyclohexylethanamine
CID 63453704
(1R)-1-cyclohexyl-N-[(4-nitrophenyl)methyl]ethanamine
CID 81384909
1-cyclohexyl-N-(naphthalen-1-ylmethyl)ethanamine
CID 63477824
(1R)-N-[(2-chloro-5-nitrophenyl)methyl]-1-cyclohexylethanamine
CID 81384193

Frequently Asked Questions

What is the IUPAC name of (1R)-1-cyclohexyl-N-[(2-nitrophenyl)methyl]ethanamine?
The IUPAC name of (1R)-1-cyclohexyl-N-[(2-nitrophenyl)methyl]ethanamine (CID 81384906) is (1R)-1-cyclohexyl-N-[(2-nitrophenyl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-cyclohexyl-N-[(2-nitrophenyl)methyl]ethanamine?
The canonical SMILES for (1R)-1-cyclohexyl-N-[(2-nitrophenyl)methyl]ethanamine is C[C@@H](NCc1ccccc1[N+](=O)[O-])C1CCCCC1.
What is the InChIKey of (1R)-1-cyclohexyl-N-[(2-nitrophenyl)methyl]ethanamine?
The InChIKey is DGPQRZLQGKGWTJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-12(13-7-3-2-4-8-13)16-11-14-9-5-6-10-15(14)17(18)19/h5-6,9-10,12-13,16H,2-4,7-8,11H2,1H3/t12-/m1/s1.
What are the key properties of (1R)-1-cyclohexyl-N-[(2-nitrophenyl)methyl]ethanamine?
(1R)-1-cyclohexyl-N-[(2-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-[(2-nitrophenyl)methyl]ethanamine is sourced from PubChem (CID 81384906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).