3-chloro-4-nitro-N-(4-propan-2-ylcyclohexyl)aniline

C15H21ClN2O2 — CID 82864304

IUPAC3-chloro-4-nitro-N-(4-propan-2-ylcyclohexyl)aniline
SMILESCC(C)C1CCC(Nc2ccc([N+](=O)[O-])c(Cl)c2)CC1
InChIInChI=1S/C15H21ClN2O2/c1-10(2)11-3-5-12(6-4-11)17-13-7-8-15(18(19)20)14(16)9-13/h7-12,17H,3-6H2,1-2H3
InChIKeyWDBYJLTUELMDTC-UHFFFAOYSA-N
MW296.80 g/mol
LogP4.87
Rot. Bonds4

About 3-chloro-4-nitro-N-(4-propan-2-ylcyclohexyl)aniline

3-chloro-4-nitro-N-(4-propan-2-ylcyclohexyl)aniline (PubChem CID 82864304) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 3-chloro-4-nitro-N-(4-propan-2-ylcyclohexyl)aniline.

Molecular Properties

Compound Name3-chloro-4-nitro-N-(4-propan-2-ylcyclohexyl)aniline
PubChem CID82864304
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name3-chloro-4-nitro-N-(4-propan-2-ylcyclohexyl)aniline
SMILESCC(C)C1CCC(Nc2ccc([N+](=O)[O-])c(Cl)c2)CC1
InChIInChI=1S/C15H21ClN2O2/c1-10(2)11-3-5-12(6-4-11)17-13-7-8-15(18(19)20)14(16)9-13/h7-12,17H,3-6H2,1-2H3
InChIKeyWDBYJLTUELMDTC-UHFFFAOYSA-N
XLogP4.87
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 54.87
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

4-bromo-3-nitro-N-(4-propan-2-ylcyclohexyl)aniline
CID 79767678
N-(3-chloro-4-nitrophenyl)-2-propan-2-yloxan-4-amine
CID 82865046
3-chloro-N-(3-methylcyclobutyl)-4-nitroaniline
CID 103562261
3-chloro-N-(1-cyclohexylethyl)-4-nitroaniline
CID 82864806
N-(3-chloro-4-nitrophenyl)oxetan-3-amine
CID 82864147
3-methyl-4-nitro-N-(3-propan-2-ylcyclohexyl)aniline
CID 107448438
4-chloro-N-(4-propan-2-ylcyclohexyl)-3-(trifluoromethyl)aniline
CID 63423296
2,6-dichloro-4-[(4-propan-2-ylcyclohexyl)amino]phenol
CID 107679381
4-(3-methyl-4-nitroanilino)cyclohexan-1-ol
CID 43381665
4-N-(3-methoxy-4-nitrophenyl)-1-N-methylcyclohexane-1,4-diamine
CID 79111166
3-chloro-4-nitro-N-(2,4,4-trimethylcyclohexyl)aniline
CID 82865048
2-(azetidin-3-yl)-N-(3-chloro-4-nitrophenyl)propanamide
CID 116678757

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-nitro-N-(4-propan-2-ylcyclohexyl)aniline?
The IUPAC name of 3-chloro-4-nitro-N-(4-propan-2-ylcyclohexyl)aniline (CID 82864304) is 3-chloro-4-nitro-N-(4-propan-2-ylcyclohexyl)aniline.
What is the SMILES notation for 3-chloro-4-nitro-N-(4-propan-2-ylcyclohexyl)aniline?
The canonical SMILES for 3-chloro-4-nitro-N-(4-propan-2-ylcyclohexyl)aniline is CC(C)C1CCC(Nc2ccc([N+](=O)[O-])c(Cl)c2)CC1.
What is the InChIKey of 3-chloro-4-nitro-N-(4-propan-2-ylcyclohexyl)aniline?
The InChIKey is WDBYJLTUELMDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-10(2)11-3-5-12(6-4-11)17-13-7-8-15(18(19)20)14(16)9-13/h7-12,17H,3-6H2,1-2H3.
What are the key properties of 3-chloro-4-nitro-N-(4-propan-2-ylcyclohexyl)aniline?
3-chloro-4-nitro-N-(4-propan-2-ylcyclohexyl)aniline has a molecular weight of 296.80 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-nitro-N-(4-propan-2-ylcyclohexyl)aniline is sourced from PubChem (CID 82864304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).