[1-[(5-chloro-2-fluorophenyl)methyl]-4-ethylcyclohexyl]methanamine

C16H23ClFN — CID 103051053

IUPAC[1-[(5-chloro-2-fluorophenyl)methyl]-4-ethylcyclohexyl]methanamine
SMILESCCC1CCC(CN)(Cc2cc(Cl)ccc2F)CC1
InChIInChI=1S/C16H23ClFN/c1-2-12-5-7-16(11-19,8-6-12)10-13-9-14(17)3-4-15(13)18/h3-4,9,12H,2,5-8,10-11,19H2,1H3
InChIKeyREXQISWCFXESKB-UHFFFAOYSA-N
MW283.82 g/mol
LogP4.57
Rot. Bonds4

About [1-[(5-chloro-2-fluorophenyl)methyl]-4-ethylcyclohexyl]methanamine

[1-[(5-chloro-2-fluorophenyl)methyl]-4-ethylcyclohexyl]methanamine (PubChem CID 103051053) has the molecular formula C16H23ClFN and a molecular weight of 283.82 g/mol. Its IUPAC name is [1-[(5-chloro-2-fluorophenyl)methyl]-4-ethylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[(5-chloro-2-fluorophenyl)methyl]-4-ethylcyclohexyl]methanamine
PubChem CID103051053
Molecular FormulaC16H23ClFN
Molecular Weight283.82 g/mol
Exact Mass283.15
IUPAC Name[1-[(5-chloro-2-fluorophenyl)methyl]-4-ethylcyclohexyl]methanamine
SMILESCCC1CCC(CN)(Cc2cc(Cl)ccc2F)CC1
InChIInChI=1S/C16H23ClFN/c1-2-12-5-7-16(11-19,8-6-12)10-13-9-14(17)3-4-15(13)18/h3-4,9,12H,2,5-8,10-11,19H2,1H3
InChIKeyREXQISWCFXESKB-UHFFFAOYSA-N
XLogP4.57
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 ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [1-[(5-chloro-2-fluorophenyl)methyl]-4-ethylcyclohexyl]methanamine?
The IUPAC name of [1-[(5-chloro-2-fluorophenyl)methyl]-4-ethylcyclohexyl]methanamine (CID 103051053) is [1-[(5-chloro-2-fluorophenyl)methyl]-4-ethylcyclohexyl]methanamine.
What is the SMILES notation for [1-[(5-chloro-2-fluorophenyl)methyl]-4-ethylcyclohexyl]methanamine?
The canonical SMILES for [1-[(5-chloro-2-fluorophenyl)methyl]-4-ethylcyclohexyl]methanamine is CCC1CCC(CN)(Cc2cc(Cl)ccc2F)CC1.
What is the InChIKey of [1-[(5-chloro-2-fluorophenyl)methyl]-4-ethylcyclohexyl]methanamine?
The InChIKey is REXQISWCFXESKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClFN/c1-2-12-5-7-16(11-19,8-6-12)10-13-9-14(17)3-4-15(13)18/h3-4,9,12H,2,5-8,10-11,19H2,1H3.
What are the key properties of [1-[(5-chloro-2-fluorophenyl)methyl]-4-ethylcyclohexyl]methanamine?
[1-[(5-chloro-2-fluorophenyl)methyl]-4-ethylcyclohexyl]methanamine has a molecular weight of 283.82 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-chloro-2-fluorophenyl)methyl]-4-ethylcyclohexyl]methanamine is sourced from PubChem (CID 103051053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).