3-chloro-N-(3-cyclopropylcyclohexyl)-4-(difluoromethoxy)aniline

C16H20ClF2NO — CID 64594247

IUPAC3-chloro-N-(3-cyclopropylcyclohexyl)-4-(difluoromethoxy)aniline
SMILESFC(F)Oc1ccc(NC2CCCC(C3CC3)C2)cc1Cl
InChIInChI=1S/C16H20ClF2NO/c17-14-9-13(6-7-15(14)21-16(18)19)20-12-3-1-2-11(8-12)10-4-5-10/h6-7,9-12,16,20H,1-5,8H2
InChIKeyONONQEUFSSNMTL-UHFFFAOYSA-N
MW315.79 g/mol
LogP5.32
Rot. Bonds5

About 3-chloro-N-(3-cyclopropylcyclohexyl)-4-(difluoromethoxy)aniline

3-chloro-N-(3-cyclopropylcyclohexyl)-4-(difluoromethoxy)aniline (PubChem CID 64594247) has the molecular formula C16H20ClF2NO and a molecular weight of 315.79 g/mol. Its IUPAC name is 3-chloro-N-(3-cyclopropylcyclohexyl)-4-(difluoromethoxy)aniline.

Molecular Properties

Compound Name3-chloro-N-(3-cyclopropylcyclohexyl)-4-(difluoromethoxy)aniline
PubChem CID64594247
Molecular FormulaC16H20ClF2NO
Molecular Weight315.79 g/mol
Exact Mass315.12
IUPAC Name3-chloro-N-(3-cyclopropylcyclohexyl)-4-(difluoromethoxy)aniline
SMILESFC(F)Oc1ccc(NC2CCCC(C3CC3)C2)cc1Cl
InChIInChI=1S/C16H20ClF2NO/c17-14-9-13(6-7-15(14)21-16(18)19)20-12-3-1-2-11(8-12)10-4-5-10/h6-7,9-12,16,20H,1-5,8H2
InChIKeyONONQEUFSSNMTL-UHFFFAOYSA-N
XLogP5.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.79
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 3-chloro-N-(3-cyclopropylcyclohexyl)-4-(difluoromethoxy)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-(3-cyclopropylcyclohexyl)-3-fluoroaniline
CID 64594863
N-(3-chloro-4-propan-2-yloxyphenyl)cycloheptanamine
CID 43727113
1-[3-chloro-4-(difluoromethoxy)phenyl]-3-cyclohexylurea
CID 17269947
N-(3-cyclopropylcyclohexyl)-4-methoxy-3-methylaniline
CID 64624416
N-(3-chloro-4-propan-2-yloxyphenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 43727165
N-[2-chloro-4-[(3-cyclopropylcyclohexyl)amino]phenyl]acetamide
CID 64596038
4-chloro-N-(3-cyclopropylcyclohexyl)-3-nitroaniline
CID 64594680
3-chloro-4-methoxy-N-[3-(2-methylpropyl)cyclohexyl]aniline
CID 107427851
3-chloro-4-(difluoromethoxy)-N-(piperidin-3-ylmethyl)aniline
CID 80553653
cis-(1S,3R)-3-N-[3-(difluoromethoxy)-4-nitrophenyl]-1-N,1-N-dimethylcyclohexane-1,3-diamine
CID 100638219
N-(3-cyclopropylcyclohexyl)-4-(trifluoromethoxy)aniline
CID 64593461
2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]cyclohexane-1-carboxamide
CID 64822097

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-cyclopropylcyclohexyl)-4-(difluoromethoxy)aniline?
The IUPAC name of 3-chloro-N-(3-cyclopropylcyclohexyl)-4-(difluoromethoxy)aniline (CID 64594247) is 3-chloro-N-(3-cyclopropylcyclohexyl)-4-(difluoromethoxy)aniline.
What is the SMILES notation for 3-chloro-N-(3-cyclopropylcyclohexyl)-4-(difluoromethoxy)aniline?
The canonical SMILES for 3-chloro-N-(3-cyclopropylcyclohexyl)-4-(difluoromethoxy)aniline is FC(F)Oc1ccc(NC2CCCC(C3CC3)C2)cc1Cl.
What is the InChIKey of 3-chloro-N-(3-cyclopropylcyclohexyl)-4-(difluoromethoxy)aniline?
The InChIKey is ONONQEUFSSNMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClF2NO/c17-14-9-13(6-7-15(14)21-16(18)19)20-12-3-1-2-11(8-12)10-4-5-10/h6-7,9-12,16,20H,1-5,8H2.
What are the key properties of 3-chloro-N-(3-cyclopropylcyclohexyl)-4-(difluoromethoxy)aniline?
3-chloro-N-(3-cyclopropylcyclohexyl)-4-(difluoromethoxy)aniline has a molecular weight of 315.79 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-cyclopropylcyclohexyl)-4-(difluoromethoxy)aniline is sourced from PubChem (CID 64594247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).