1-(2-chloro-5-fluorophenyl)-4-ethylcyclohexan-1-amine

C14H19ClFN — CID 105394086

IUPAC1-(2-chloro-5-fluorophenyl)-4-ethylcyclohexan-1-amine
SMILESCCC1CCC(N)(c2cc(F)ccc2Cl)CC1
InChIInChI=1S/C14H19ClFN/c1-2-10-5-7-14(17,8-6-10)12-9-11(16)3-4-13(12)15/h3-4,9-10H,2,5-8,17H2,1H3
InChIKeyPEBOEZYQNMEKNK-UHFFFAOYSA-N
MW255.76 g/mol
LogP4.23
Rot. Bonds2

About 1-(2-chloro-5-fluorophenyl)-4-ethylcyclohexan-1-amine

1-(2-chloro-5-fluorophenyl)-4-ethylcyclohexan-1-amine (PubChem CID 105394086) has the molecular formula C14H19ClFN and a molecular weight of 255.76 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-4-ethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-4-ethylcyclohexan-1-amine
PubChem CID105394086
Molecular FormulaC14H19ClFN
Molecular Weight255.76 g/mol
Exact Mass255.12
IUPAC Name1-(2-chloro-5-fluorophenyl)-4-ethylcyclohexan-1-amine
SMILESCCC1CCC(N)(c2cc(F)ccc2Cl)CC1
InChIInChI=1S/C14H19ClFN/c1-2-10-5-7-14(17,8-6-10)12-9-11(16)3-4-13(12)15/h3-4,9-10H,2,5-8,17H2,1H3
InChIKeyPEBOEZYQNMEKNK-UHFFFAOYSA-N
XLogP4.23
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 ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,5-difluorophenyl)-4-ethylcyclohexan-1-amine
CID 62802100
1-(2-chloro-5-fluorophenyl)-4-methylcyclohexan-1-amine
CID 105394080
1-(2-chloro-5-fluorophenyl)-4-propylcycloheptan-1-amine
CID 105394136
3-ethyl-1-(5-fluoro-2-methoxyphenyl)cyclopentan-1-amine
CID 82769169
1-(2-chlorophenyl)-3-ethylcyclopentan-1-amine
CID 64514342
1-[(4-chloro-3-fluorophenyl)methyl]-4-ethylcyclohexan-1-amine
CID 107883803
1-(3,4-dichlorophenyl)-3-ethylcyclopentan-1-amine
CID 64514572
[1-[(2-chloro-5-fluorophenyl)methyl]-3-ethylcyclopentyl]methanamine
CID 102621042
ethylcyclopropane;1,2,4-trifluorobenzene
CID 157032368
1-(3,5-dimethylphenyl)-4-ethylcyclohexan-1-amine
CID 55186767
4-ethyl-1-[(4-fluorophenyl)methyl]cycloheptan-1-amine
CID 65082624
1-[(2,4-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine
CID 55186388

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-4-ethylcyclohexan-1-amine?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-4-ethylcyclohexan-1-amine (CID 105394086) is 1-(2-chloro-5-fluorophenyl)-4-ethylcyclohexan-1-amine.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-4-ethylcyclohexan-1-amine?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-4-ethylcyclohexan-1-amine is CCC1CCC(N)(c2cc(F)ccc2Cl)CC1.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-4-ethylcyclohexan-1-amine?
The InChIKey is PEBOEZYQNMEKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFN/c1-2-10-5-7-14(17,8-6-10)12-9-11(16)3-4-13(12)15/h3-4,9-10H,2,5-8,17H2,1H3.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-4-ethylcyclohexan-1-amine?
1-(2-chloro-5-fluorophenyl)-4-ethylcyclohexan-1-amine has a molecular weight of 255.76 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluorophenyl)-4-ethylcyclohexan-1-amine is sourced from PubChem (CID 105394086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).