1-[(4-chloro-3-fluorophenyl)methyl]-4-(propylamino)cyclohexan-1-ol

C16H23ClFNO — CID 107889043

IUPAC1-[(4-chloro-3-fluorophenyl)methyl]-4-(propylamino)cyclohexan-1-ol
SMILESCCCNC1CCC(O)(Cc2ccc(Cl)c(F)c2)CC1
InChIInChI=1S/C16H23ClFNO/c1-2-9-19-13-5-7-16(20,8-6-13)11-12-3-4-14(17)15(18)10-12/h3-4,10,13,19-20H,2,5-9,11H2,1H3
InChIKeyGVWHVPSPINWUKI-UHFFFAOYSA-N
MW299.82 g/mol
LogP3.69
Rot. Bonds5

About 1-[(4-chloro-3-fluorophenyl)methyl]-4-(propylamino)cyclohexan-1-ol

1-[(4-chloro-3-fluorophenyl)methyl]-4-(propylamino)cyclohexan-1-ol (PubChem CID 107889043) has the molecular formula C16H23ClFNO and a molecular weight of 299.82 g/mol. Its IUPAC name is 1-[(4-chloro-3-fluorophenyl)methyl]-4-(propylamino)cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(4-chloro-3-fluorophenyl)methyl]-4-(propylamino)cyclohexan-1-ol
PubChem CID107889043
Molecular FormulaC16H23ClFNO
Molecular Weight299.82 g/mol
Exact Mass299.15
IUPAC Name1-[(4-chloro-3-fluorophenyl)methyl]-4-(propylamino)cyclohexan-1-ol
SMILESCCCNC1CCC(O)(Cc2ccc(Cl)c(F)c2)CC1
InChIInChI=1S/C16H23ClFNO/c1-2-9-19-13-5-7-16(20,8-6-13)11-12-3-4-14(17)15(18)10-12/h3-4,10,13,19-20H,2,5-9,11H2,1H3
InChIKeyGVWHVPSPINWUKI-UHFFFAOYSA-N
XLogP3.69
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.82
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-1-[(4-chloro-3-fluorophenyl)methyl]cyclohexan-1-ol
CID 107883412
1-[(4-chloro-3-fluorophenyl)methyl]cycloheptan-1-ol
CID 107883416
1-[(4-chloro-3-fluorophenyl)methyl]cyclohexan-1-ol
CID 107883405
1-[(2,3-dichlorophenyl)methyl]-4-(propylamino)cyclohexan-1-ol
CID 107310679
N-[[4-[(4-chloro-3-fluorophenyl)methyl]oxan-4-yl]methyl]cyclopropanamine
CID 107897466
4-[(4-chloro-3-fluorophenyl)methyl]-1-propylazepan-4-ol
CID 107883599
1-[(4-chloro-2-fluorophenyl)methyl]-4-(ethylamino)cyclohexan-1-ol
CID 114861684
1-[(3-chloro-4-fluorophenyl)methyl]-3-ethylcyclopentan-1-ol
CID 103039036
N-[[3-[(4-chloro-3-fluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]propan-1-amine
CID 107897618
1-[(3,5-difluorophenyl)methyl]-4-(ethylamino)cyclohexan-1-ol
CID 105410690
1-[(4-chloro-3-fluorophenyl)methyl]-4-ethylcyclohexan-1-amine
CID 107883803
3-[(4-chloro-3-fluorophenyl)methyl]oxolan-3-ol
CID 107883464

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-3-fluorophenyl)methyl]-4-(propylamino)cyclohexan-1-ol?
The IUPAC name of 1-[(4-chloro-3-fluorophenyl)methyl]-4-(propylamino)cyclohexan-1-ol (CID 107889043) is 1-[(4-chloro-3-fluorophenyl)methyl]-4-(propylamino)cyclohexan-1-ol.
What is the SMILES notation for 1-[(4-chloro-3-fluorophenyl)methyl]-4-(propylamino)cyclohexan-1-ol?
The canonical SMILES for 1-[(4-chloro-3-fluorophenyl)methyl]-4-(propylamino)cyclohexan-1-ol is CCCNC1CCC(O)(Cc2ccc(Cl)c(F)c2)CC1.
What is the InChIKey of 1-[(4-chloro-3-fluorophenyl)methyl]-4-(propylamino)cyclohexan-1-ol?
The InChIKey is GVWHVPSPINWUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClFNO/c1-2-9-19-13-5-7-16(20,8-6-13)11-12-3-4-14(17)15(18)10-12/h3-4,10,13,19-20H,2,5-9,11H2,1H3.
What are the key properties of 1-[(4-chloro-3-fluorophenyl)methyl]-4-(propylamino)cyclohexan-1-ol?
1-[(4-chloro-3-fluorophenyl)methyl]-4-(propylamino)cyclohexan-1-ol has a molecular weight of 299.82 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-3-fluorophenyl)methyl]-4-(propylamino)cyclohexan-1-ol is sourced from PubChem (CID 107889043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).