3-chloro-N-(2-cyclohexylcyclohexyl)-4-fluoroaniline

C18H25ClFN — CID 63421987

IUPAC3-chloro-N-(2-cyclohexylcyclohexyl)-4-fluoroaniline
SMILESFc1ccc(NC2CCCCC2C2CCCCC2)cc1Cl
InChIInChI=1S/C18H25ClFN/c19-16-12-14(10-11-17(16)20)21-18-9-5-4-8-15(18)13-6-2-1-3-7-13/h10-13,15,18,21H,1-9H2
InChIKeyXDZHTHYHEMHVSO-UHFFFAOYSA-N
MW309.86 g/mol
LogP6.03
Rot. Bonds3

About 3-chloro-N-(2-cyclohexylcyclohexyl)-4-fluoroaniline

3-chloro-N-(2-cyclohexylcyclohexyl)-4-fluoroaniline (PubChem CID 63421987) has the molecular formula C18H25ClFN and a molecular weight of 309.86 g/mol. Its IUPAC name is 3-chloro-N-(2-cyclohexylcyclohexyl)-4-fluoroaniline.

Molecular Properties

Compound Name3-chloro-N-(2-cyclohexylcyclohexyl)-4-fluoroaniline
PubChem CID63421987
Molecular FormulaC18H25ClFN
Molecular Weight309.86 g/mol
Exact Mass309.17
IUPAC Name3-chloro-N-(2-cyclohexylcyclohexyl)-4-fluoroaniline
SMILESFc1ccc(NC2CCCCC2C2CCCCC2)cc1Cl
InChIInChI=1S/C18H25ClFN/c19-16-12-14(10-11-17(16)20)21-18-9-5-4-8-15(18)13-6-2-1-3-7-13/h10-13,15,18,21H,1-9H2
InChIKeyXDZHTHYHEMHVSO-UHFFFAOYSA-N
XLogP6.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.86
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-chloro-N-cyclopentyl-4-fluoroaniline
CID 28938400
N-(2-cyclohexylcyclohexyl)-3,4-dimethylaniline
CID 63422587
2-(3-chloro-4-fluoroanilino)cyclopentane-1-carbonitrile
CID 83107962
N-(3-chloro-4-fluorophenyl)spiro[4.5]decan-8-amine
CID 114817207
3-chloro-N-(cyclooctylmethyl)-4-fluoroaniline
CID 114207702
N-(3-chloro-4-fluorophenyl)-1,1-dioxothian-4-amine
CID 43511704
1-(3-chloro-4-fluorophenyl)-3-cycloheptylthiourea
CID 8669396
4-chloro-N-cyclopentyl-3-fluoroaniline
CID 43721398
6-N-(3-chloro-4-fluorophenyl)-4-N-cyclohexylpyrimidine-4,5,6-triamine
CID 19135885
trans-(1S,2S)-2-(3,4-difluoroanilino)cyclohexan-1-ol
CID 102730932
5-chloro-N-(3-chloro-4-fluorophenyl)-2,3-dihydro-1H-inden-2-amine
CID 115348720
1-(3-chloro-4-fluorophenyl)-3-cyclopentylthiourea
CID 2105676

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-cyclohexylcyclohexyl)-4-fluoroaniline?
The IUPAC name of 3-chloro-N-(2-cyclohexylcyclohexyl)-4-fluoroaniline (CID 63421987) is 3-chloro-N-(2-cyclohexylcyclohexyl)-4-fluoroaniline.
What is the SMILES notation for 3-chloro-N-(2-cyclohexylcyclohexyl)-4-fluoroaniline?
The canonical SMILES for 3-chloro-N-(2-cyclohexylcyclohexyl)-4-fluoroaniline is Fc1ccc(NC2CCCCC2C2CCCCC2)cc1Cl.
What is the InChIKey of 3-chloro-N-(2-cyclohexylcyclohexyl)-4-fluoroaniline?
The InChIKey is XDZHTHYHEMHVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClFN/c19-16-12-14(10-11-17(16)20)21-18-9-5-4-8-15(18)13-6-2-1-3-7-13/h10-13,15,18,21H,1-9H2.
What are the key properties of 3-chloro-N-(2-cyclohexylcyclohexyl)-4-fluoroaniline?
3-chloro-N-(2-cyclohexylcyclohexyl)-4-fluoroaniline has a molecular weight of 309.86 g/mol, XLogP of 6.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-cyclohexylcyclohexyl)-4-fluoroaniline is sourced from PubChem (CID 63421987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).