1-(1-methylcyclohexyl)-2-(2-nitrophenyl)ethanamine

C15H22N2O2 — CID 106827568

IUPAC1-(1-methylcyclohexyl)-2-(2-nitrophenyl)ethanamine
SMILESCC1(C(N)Cc2ccccc2[N+](=O)[O-])CCCCC1
InChIInChI=1S/C15H22N2O2/c1-15(9-5-2-6-10-15)14(16)11-12-7-3-4-8-13(12)17(18)19/h3-4,7-8,14H,2,5-6,9-11,16H2,1H3
InChIKeyQDWZYTIYBCDSFH-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.43
Rot. Bonds4

About 1-(1-methylcyclohexyl)-2-(2-nitrophenyl)ethanamine

1-(1-methylcyclohexyl)-2-(2-nitrophenyl)ethanamine (PubChem CID 106827568) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-(1-methylcyclohexyl)-2-(2-nitrophenyl)ethanamine.

Molecular Properties

Compound Name1-(1-methylcyclohexyl)-2-(2-nitrophenyl)ethanamine
PubChem CID106827568
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-(1-methylcyclohexyl)-2-(2-nitrophenyl)ethanamine
SMILESCC1(C(N)Cc2ccccc2[N+](=O)[O-])CCCCC1
InChIInChI=1S/C15H22N2O2/c1-15(9-5-2-6-10-15)14(16)11-12-7-3-4-8-13(12)17(18)19/h3-4,7-8,14H,2,5-6,9-11,16H2,1H3
InChIKeyQDWZYTIYBCDSFH-UHFFFAOYSA-N
XLogP3.43
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.43
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

2-(2-nitrophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 66475379
1-[2-(2-nitrophenyl)ethyl]cyclopentan-1-amine
CID 65020410
1-methyl-N-[2-(2-nitrophenyl)ethyl]cyclohexan-1-amine
CID 63062447
[1-[(2-nitrophenyl)methyl]cycloheptyl]methanamine
CID 65391894
[1-[2-(2-nitrophenyl)ethyl]cyclopentyl]methanamine
CID 65394636
1,2-bis(2-nitrophenyl)ethanamine
CID 145318541
N-[1-(hydroxymethyl)cyclohexyl]-2-(2-nitrophenyl)acetamide
CID 62521825
2-amino-3-(2-nitrophenyl)propanamide
CID 64990482
1-(2,2-dibromoethyl)-2-nitrobenzene
CID 3803942
1-(2,2-difluoroethyl)-2-nitrobenzene
CID 142566464
N-[(1-methylcyclopentyl)methyl]-2-(2-nitrophenyl)ethanamine
CID 63821333
1-(2,2-dimethoxyethyl)-2-nitrobenzene
CID 10330783

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylcyclohexyl)-2-(2-nitrophenyl)ethanamine?
The IUPAC name of 1-(1-methylcyclohexyl)-2-(2-nitrophenyl)ethanamine (CID 106827568) is 1-(1-methylcyclohexyl)-2-(2-nitrophenyl)ethanamine.
What is the SMILES notation for 1-(1-methylcyclohexyl)-2-(2-nitrophenyl)ethanamine?
The canonical SMILES for 1-(1-methylcyclohexyl)-2-(2-nitrophenyl)ethanamine is CC1(C(N)Cc2ccccc2[N+](=O)[O-])CCCCC1.
What is the InChIKey of 1-(1-methylcyclohexyl)-2-(2-nitrophenyl)ethanamine?
The InChIKey is QDWZYTIYBCDSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-15(9-5-2-6-10-15)14(16)11-12-7-3-4-8-13(12)17(18)19/h3-4,7-8,14H,2,5-6,9-11,16H2,1H3.
What are the key properties of 1-(1-methylcyclohexyl)-2-(2-nitrophenyl)ethanamine?
1-(1-methylcyclohexyl)-2-(2-nitrophenyl)ethanamine has a molecular weight of 262.35 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclohexyl)-2-(2-nitrophenyl)ethanamine is sourced from PubChem (CID 106827568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).