1-[(4-chloro-2-fluorophenyl)methyl]-4-(ethylamino)cyclohexan-1-ol

C15H21ClFNO — CID 114861684

IUPAC1-[(4-chloro-2-fluorophenyl)methyl]-4-(ethylamino)cyclohexan-1-ol
SMILESCCNC1CCC(O)(Cc2ccc(Cl)cc2F)CC1
InChIInChI=1S/C15H21ClFNO/c1-2-18-13-5-7-15(19,8-6-13)10-11-3-4-12(16)9-14(11)17/h3-4,9,13,18-19H,2,5-8,10H2,1H3
InChIKeyJAEFJVZABLQVSM-UHFFFAOYSA-N
MW285.79 g/mol
LogP3.30
Rot. Bonds4

About 1-[(4-chloro-2-fluorophenyl)methyl]-4-(ethylamino)cyclohexan-1-ol

1-[(4-chloro-2-fluorophenyl)methyl]-4-(ethylamino)cyclohexan-1-ol (PubChem CID 114861684) has the molecular formula C15H21ClFNO and a molecular weight of 285.79 g/mol. Its IUPAC name is 1-[(4-chloro-2-fluorophenyl)methyl]-4-(ethylamino)cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(4-chloro-2-fluorophenyl)methyl]-4-(ethylamino)cyclohexan-1-ol
PubChem CID114861684
Molecular FormulaC15H21ClFNO
Molecular Weight285.79 g/mol
Exact Mass285.13
IUPAC Name1-[(4-chloro-2-fluorophenyl)methyl]-4-(ethylamino)cyclohexan-1-ol
SMILESCCNC1CCC(O)(Cc2ccc(Cl)cc2F)CC1
InChIInChI=1S/C15H21ClFNO/c1-2-18-13-5-7-15(19,8-6-13)10-11-3-4-12(16)9-14(11)17/h3-4,9,13,18-19H,2,5-8,10H2,1H3
InChIKeyJAEFJVZABLQVSM-UHFFFAOYSA-N
XLogP3.30
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.79
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(4-chloro-2-fluorophenyl)methyl]-4-(ethylamino)cyclohexan-1-ol 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

1-[(4-chloro-2-fluorophenyl)methyl]cyclobutan-1-ol
CID 114852385
4-tert-butyl-1-[(4-chloro-2-fluorophenyl)methyl]cycloheptan-1-ol
CID 114852298
1-[(3,5-difluorophenyl)methyl]-4-(ethylamino)cyclohexan-1-ol
CID 105410690
4-[(4-chloro-2-fluorophenyl)methyl]-1-ethylazepan-4-ol
CID 114852276
1-[(2,4-difluorophenyl)methyl]-4-ethylcyclohexan-1-ol
CID 62197513
4-[(4-chloro-2-fluorophenyl)methyl]-1-methylazepan-4-ol
CID 114852273
1-[(4-chloro-3-fluorophenyl)methyl]-4-(propylamino)cyclohexan-1-ol
CID 107889043
3-[(4-chloro-2-fluorophenyl)methyl]-1-methylpiperidin-3-ol
CID 114852550
1-[(4-bromo-2-fluorophenyl)methyl]-4-ethylcyclohexan-1-ol
CID 65147432
1-[(4-chloro-2-fluorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 114853407
3-[(4-chloro-2-fluorophenyl)methyl]-3-methylcyclopentan-1-ol
CID 114860136
2-[(4-chloro-2-fluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol
CID 114851797

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-2-fluorophenyl)methyl]-4-(ethylamino)cyclohexan-1-ol?
The IUPAC name of 1-[(4-chloro-2-fluorophenyl)methyl]-4-(ethylamino)cyclohexan-1-ol (CID 114861684) is 1-[(4-chloro-2-fluorophenyl)methyl]-4-(ethylamino)cyclohexan-1-ol.
What is the SMILES notation for 1-[(4-chloro-2-fluorophenyl)methyl]-4-(ethylamino)cyclohexan-1-ol?
The canonical SMILES for 1-[(4-chloro-2-fluorophenyl)methyl]-4-(ethylamino)cyclohexan-1-ol is CCNC1CCC(O)(Cc2ccc(Cl)cc2F)CC1.
What is the InChIKey of 1-[(4-chloro-2-fluorophenyl)methyl]-4-(ethylamino)cyclohexan-1-ol?
The InChIKey is JAEFJVZABLQVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFNO/c1-2-18-13-5-7-15(19,8-6-13)10-11-3-4-12(16)9-14(11)17/h3-4,9,13,18-19H,2,5-8,10H2,1H3.
What are the key properties of 1-[(4-chloro-2-fluorophenyl)methyl]-4-(ethylamino)cyclohexan-1-ol?
1-[(4-chloro-2-fluorophenyl)methyl]-4-(ethylamino)cyclohexan-1-ol has a molecular weight of 285.79 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-2-fluorophenyl)methyl]-4-(ethylamino)cyclohexan-1-ol is sourced from PubChem (CID 114861684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).