(1R)-1-cyclohexyl-N-[(2-methoxy-5-nitrophenyl)methyl]ethanamine

C16H24N2O3 — CID 81388796

IUPAC(1R)-1-cyclohexyl-N-[(2-methoxy-5-nitrophenyl)methyl]ethanamine
SMILESCOc1ccc([N+](=O)[O-])cc1CN[C@H](C)C1CCCCC1
InChIInChI=1S/C16H24N2O3/c1-12(13-6-4-3-5-7-13)17-11-14-10-15(18(19)20)8-9-16(14)21-2/h8-10,12-13,17H,3-7,11H2,1-2H3/t12-/m1/s1
InChIKeyMPCUDZOQIYGOEO-GFCCVEGCSA-N
MW292.38 g/mol
LogP3.66
Rot. Bonds6

About (1R)-1-cyclohexyl-N-[(2-methoxy-5-nitrophenyl)methyl]ethanamine

(1R)-1-cyclohexyl-N-[(2-methoxy-5-nitrophenyl)methyl]ethanamine (PubChem CID 81388796) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is (1R)-1-cyclohexyl-N-[(2-methoxy-5-nitrophenyl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-cyclohexyl-N-[(2-methoxy-5-nitrophenyl)methyl]ethanamine
PubChem CID81388796
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name(1R)-1-cyclohexyl-N-[(2-methoxy-5-nitrophenyl)methyl]ethanamine
SMILESCOc1ccc([N+](=O)[O-])cc1CN[C@H](C)C1CCCCC1
InChIInChI=1S/C16H24N2O3/c1-12(13-6-4-3-5-7-13)17-11-14-10-15(18(19)20)8-9-16(14)21-2/h8-10,12-13,17H,3-7,11H2,1-2H3/t12-/m1/s1
InChIKeyMPCUDZOQIYGOEO-GFCCVEGCSA-N
XLogP3.66
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

(1R)-N-[(2-chloro-5-nitrophenyl)methyl]-1-cyclohexylethanamine
CID 81384193
N-[(2-methoxy-5-nitrophenyl)methyl]cyclopentanamine
CID 43082634
1-cyclopentyl-N-[(2-methoxy-5-nitrophenyl)methyl]methanamine
CID 43371036
(1R)-1-cyclohexyl-N-[(4-nitrophenyl)methyl]ethanamine
CID 81384909
N-[(2-methoxy-5-nitrophenyl)methyl]pentan-3-amine
CID 43082638
(2R)-2-[(2-methoxy-5-nitrophenyl)methylamino]propanoic acid
CID 83194735
N-[(2-methoxy-5-nitrophenyl)methyl]-2-methylcyclohexan-1-amine
CID 2988984
2-[(2-methoxy-5-nitrophenyl)methylamino]propanamide
CID 43329475
2-[(2-methoxy-5-nitrophenyl)methylamino]-3-methylbutanoic acid
CID 43468781
N-[(2-methoxy-5-nitrophenyl)methyl]piperidin-1-amine
CID 83013548
N-methoxy-1-(2-methoxy-5-nitrophenyl)methanamine
CID 60702867
N-[(2-methoxy-5-nitrophenyl)methyl]hexan-2-amine
CID 62200224

Frequently Asked Questions

What is the IUPAC name of (1R)-1-cyclohexyl-N-[(2-methoxy-5-nitrophenyl)methyl]ethanamine?
The IUPAC name of (1R)-1-cyclohexyl-N-[(2-methoxy-5-nitrophenyl)methyl]ethanamine (CID 81388796) is (1R)-1-cyclohexyl-N-[(2-methoxy-5-nitrophenyl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-cyclohexyl-N-[(2-methoxy-5-nitrophenyl)methyl]ethanamine?
The canonical SMILES for (1R)-1-cyclohexyl-N-[(2-methoxy-5-nitrophenyl)methyl]ethanamine is COc1ccc([N+](=O)[O-])cc1CN[C@H](C)C1CCCCC1.
What is the InChIKey of (1R)-1-cyclohexyl-N-[(2-methoxy-5-nitrophenyl)methyl]ethanamine?
The InChIKey is MPCUDZOQIYGOEO-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-12(13-6-4-3-5-7-13)17-11-14-10-15(18(19)20)8-9-16(14)21-2/h8-10,12-13,17H,3-7,11H2,1-2H3/t12-/m1/s1.
What are the key properties of (1R)-1-cyclohexyl-N-[(2-methoxy-5-nitrophenyl)methyl]ethanamine?
(1R)-1-cyclohexyl-N-[(2-methoxy-5-nitrophenyl)methyl]ethanamine has a molecular weight of 292.38 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-cyclohexyl-N-[(2-methoxy-5-nitrophenyl)methyl]ethanamine is sourced from PubChem (CID 81388796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).