1-[(4-chloro-2-fluorophenyl)methyl]-4-propylcyclohexan-1-amine

C16H23ClFN — CID 114853406

IUPAC1-[(4-chloro-2-fluorophenyl)methyl]-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)(Cc2ccc(Cl)cc2F)CC1
InChIInChI=1S/C16H23ClFN/c1-2-3-12-6-8-16(19,9-7-12)11-13-4-5-14(17)10-15(13)18/h4-5,10,12H,2-3,6-9,11,19H2,1H3
InChIKeyWTCYOEWDRLGFLQ-UHFFFAOYSA-N
MW283.82 g/mol
LogP4.71
Rot. Bonds4

About 1-[(4-chloro-2-fluorophenyl)methyl]-4-propylcyclohexan-1-amine

1-[(4-chloro-2-fluorophenyl)methyl]-4-propylcyclohexan-1-amine (PubChem CID 114853406) has the molecular formula C16H23ClFN and a molecular weight of 283.82 g/mol. Its IUPAC name is 1-[(4-chloro-2-fluorophenyl)methyl]-4-propylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[(4-chloro-2-fluorophenyl)methyl]-4-propylcyclohexan-1-amine
PubChem CID114853406
Molecular FormulaC16H23ClFN
Molecular Weight283.82 g/mol
Exact Mass283.15
IUPAC Name1-[(4-chloro-2-fluorophenyl)methyl]-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)(Cc2ccc(Cl)cc2F)CC1
InChIInChI=1S/C16H23ClFN/c1-2-3-12-6-8-16(19,9-7-12)11-13-4-5-14(17)10-15(13)18/h4-5,10,12H,2-3,6-9,11,19H2,1H3
InChIKeyWTCYOEWDRLGFLQ-UHFFFAOYSA-N
XLogP4.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.82
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(4-chloro-2-fluorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 114853407
4-butyl-1-[(5-chloro-2-fluorophenyl)methyl]cyclohexan-1-amine
CID 103050990
4-butyl-1-[(2,5-dichlorophenyl)methyl]cyclohexan-1-amine
CID 65318007
1-[(4-chloro-2-fluorophenyl)methyl]cycloheptan-1-amine
CID 114853412
1-[(2,4-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine
CID 55186388
1-[(5-fluoro-2-methylphenyl)methyl]-4-propylcyclohexan-1-amine
CID 105373056
1-[(2-bromo-5-fluorophenyl)methyl]-4-propylcyclohexan-1-amine
CID 63407677
1-[(2,6-dichlorophenyl)methyl]-4-propylcyclohexan-1-amine
CID 63407468
1-[(3,4-difluorophenyl)methyl]-4-propylcycloheptan-1-amine
CID 82919808
1-[(5-fluoro-2-methylphenyl)methyl]-4-propylcycloheptan-1-amine
CID 105373119
1-[(3-bromo-4-fluorophenyl)methyl]-4-propylcycloheptan-1-amine
CID 65086350
1-[(4-chloro-2-fluorophenyl)methyl]-3-propan-2-ylcyclohexan-1-amine
CID 107450124

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-2-fluorophenyl)methyl]-4-propylcyclohexan-1-amine?
The IUPAC name of 1-[(4-chloro-2-fluorophenyl)methyl]-4-propylcyclohexan-1-amine (CID 114853406) is 1-[(4-chloro-2-fluorophenyl)methyl]-4-propylcyclohexan-1-amine.
What is the SMILES notation for 1-[(4-chloro-2-fluorophenyl)methyl]-4-propylcyclohexan-1-amine?
The canonical SMILES for 1-[(4-chloro-2-fluorophenyl)methyl]-4-propylcyclohexan-1-amine is CCCC1CCC(N)(Cc2ccc(Cl)cc2F)CC1.
What is the InChIKey of 1-[(4-chloro-2-fluorophenyl)methyl]-4-propylcyclohexan-1-amine?
The InChIKey is WTCYOEWDRLGFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClFN/c1-2-3-12-6-8-16(19,9-7-12)11-13-4-5-14(17)10-15(13)18/h4-5,10,12H,2-3,6-9,11,19H2,1H3.
What are the key properties of 1-[(4-chloro-2-fluorophenyl)methyl]-4-propylcyclohexan-1-amine?
1-[(4-chloro-2-fluorophenyl)methyl]-4-propylcyclohexan-1-amine has a molecular weight of 283.82 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-2-fluorophenyl)methyl]-4-propylcyclohexan-1-amine is sourced from PubChem (CID 114853406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).