[1-(3-chloroanilino)-4-propylcyclohexyl]methanol

C16H24ClNO — CID 63428476

IUPAC[1-(3-chloroanilino)-4-propylcyclohexyl]methanol
SMILESCCCC1CCC(CO)(Nc2cccc(Cl)c2)CC1
InChIInChI=1S/C16H24ClNO/c1-2-4-13-7-9-16(12-19,10-8-13)18-15-6-3-5-14(17)11-15/h3,5-6,11,13,18-19H,2,4,7-10,12H2,1H3
InChIKeyQFRSMBWMDANOSL-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.47
Rot. Bonds5

About [1-(3-chloroanilino)-4-propylcyclohexyl]methanol

[1-(3-chloroanilino)-4-propylcyclohexyl]methanol (PubChem CID 63428476) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is [1-(3-chloroanilino)-4-propylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-(3-chloroanilino)-4-propylcyclohexyl]methanol
PubChem CID63428476
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name[1-(3-chloroanilino)-4-propylcyclohexyl]methanol
SMILESCCCC1CCC(CO)(Nc2cccc(Cl)c2)CC1
InChIInChI=1S/C16H24ClNO/c1-2-4-13-7-9-16(12-19,10-8-13)18-15-6-3-5-14(17)11-15/h3,5-6,11,13,18-19H,2,4,7-10,12H2,1H3
InChIKeyQFRSMBWMDANOSL-UHFFFAOYSA-N
XLogP4.47
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-(3-chlorophenyl)-4-propylcycloheptan-1-amine
CID 65384018
[4-(3-chloroanilino)-1-propylpiperidin-4-yl]methanol
CID 61049744
[1-(3-chloroanilino)cyclohexyl]methanol
CID 61050342
[1-(3-chloroanilino)cyclooctyl]methanol
CID 63428436
[4-(3-chloroanilino)piperidin-4-yl]methanol
CID 61242648
1-(3-chloroanilino)-4-propylcycloheptane-1-carbonitrile
CID 65088959
O-[(3S)-7-propylspiro[3.5]nonan-3-yl] N-(3-chlorophenyl)carbamothioate
CID 156602644
N-[1-(aminomethyl)-4-tert-butylcyclohexyl]-3-chloroaniline
CID 65384868
N-[1-(aminomethyl)-3-methylcyclopentyl]-3-chloroaniline
CID 65385077
[1-(2-bromoanilino)-4-propylcycloheptyl]methanol
CID 65090775
[2-tert-butyl-1-(3-chloroanilino)cyclohexyl]methanol
CID 63428477
methyl 1-(3-chloroanilino)-4-ethylcyclohexane-1-carboxylate
CID 63524804

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloroanilino)-4-propylcyclohexyl]methanol?
The IUPAC name of [1-(3-chloroanilino)-4-propylcyclohexyl]methanol (CID 63428476) is [1-(3-chloroanilino)-4-propylcyclohexyl]methanol.
What is the SMILES notation for [1-(3-chloroanilino)-4-propylcyclohexyl]methanol?
The canonical SMILES for [1-(3-chloroanilino)-4-propylcyclohexyl]methanol is CCCC1CCC(CO)(Nc2cccc(Cl)c2)CC1.
What is the InChIKey of [1-(3-chloroanilino)-4-propylcyclohexyl]methanol?
The InChIKey is QFRSMBWMDANOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-2-4-13-7-9-16(12-19,10-8-13)18-15-6-3-5-14(17)11-15/h3,5-6,11,13,18-19H,2,4,7-10,12H2,1H3.
What are the key properties of [1-(3-chloroanilino)-4-propylcyclohexyl]methanol?
[1-(3-chloroanilino)-4-propylcyclohexyl]methanol has a molecular weight of 281.83 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloroanilino)-4-propylcyclohexyl]methanol is sourced from PubChem (CID 63428476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).