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

C14H19ClFN — CID 114853407

IUPAC1-[(4-chloro-2-fluorophenyl)methyl]-4-methylcyclohexan-1-amine
SMILESCC1CCC(N)(Cc2ccc(Cl)cc2F)CC1
InChIInChI=1S/C14H19ClFN/c1-10-4-6-14(17,7-5-10)9-11-2-3-12(15)8-13(11)16/h2-3,8,10H,4-7,9,17H2,1H3
InChIKeyHYFVEJPATILHAF-UHFFFAOYSA-N
MW255.76 g/mol
LogP3.93
Rot. Bonds2

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

1-[(4-chloro-2-fluorophenyl)methyl]-4-methylcyclohexan-1-amine (PubChem CID 114853407) has the molecular formula C14H19ClFN and a molecular weight of 255.76 g/mol. Its IUPAC name is 1-[(4-chloro-2-fluorophenyl)methyl]-4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[(4-chloro-2-fluorophenyl)methyl]-4-methylcyclohexan-1-amine
PubChem CID114853407
Molecular FormulaC14H19ClFN
Molecular Weight255.76 g/mol
Exact Mass255.12
IUPAC Name1-[(4-chloro-2-fluorophenyl)methyl]-4-methylcyclohexan-1-amine
SMILESCC1CCC(N)(Cc2ccc(Cl)cc2F)CC1
InChIInChI=1S/C14H19ClFN/c1-10-4-6-14(17,7-5-10)9-11-2-3-12(15)8-13(11)16/h2-3,8,10H,4-7,9,17H2,1H3
InChIKeyHYFVEJPATILHAF-UHFFFAOYSA-N
XLogP3.93
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.76
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-2-fluorophenyl)methyl]-4-methylcyclohexan-1-amine?
The IUPAC name of 1-[(4-chloro-2-fluorophenyl)methyl]-4-methylcyclohexan-1-amine (CID 114853407) is 1-[(4-chloro-2-fluorophenyl)methyl]-4-methylcyclohexan-1-amine.
What is the SMILES notation for 1-[(4-chloro-2-fluorophenyl)methyl]-4-methylcyclohexan-1-amine?
The canonical SMILES for 1-[(4-chloro-2-fluorophenyl)methyl]-4-methylcyclohexan-1-amine is CC1CCC(N)(Cc2ccc(Cl)cc2F)CC1.
What is the InChIKey of 1-[(4-chloro-2-fluorophenyl)methyl]-4-methylcyclohexan-1-amine?
The InChIKey is HYFVEJPATILHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFN/c1-10-4-6-14(17,7-5-10)9-11-2-3-12(15)8-13(11)16/h2-3,8,10H,4-7,9,17H2,1H3.
What are the key properties of 1-[(4-chloro-2-fluorophenyl)methyl]-4-methylcyclohexan-1-amine?
1-[(4-chloro-2-fluorophenyl)methyl]-4-methylcyclohexan-1-amine has a molecular weight of 255.76 g/mol, XLogP of 3.93, 2 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-methylcyclohexan-1-amine is sourced from PubChem (CID 114853407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).