2-(4-ethylcyclohexyl)-2-fluoro-2-phenylethanamine

C16H24FN — CID 112566374

IUPAC2-(4-ethylcyclohexyl)-2-fluoro-2-phenylethanamine
SMILESCCC1CCC(C(F)(CN)c2ccccc2)CC1
InChIInChI=1S/C16H24FN/c1-2-13-8-10-15(11-9-13)16(17,12-18)14-6-4-3-5-7-14/h3-7,13,15H,2,8-12,18H2,1H3
InChIKeyXNVHKPYCFVWHNB-UHFFFAOYSA-N
MW249.37 g/mol
LogP4.03
Rot. Bonds4

About 2-(4-ethylcyclohexyl)-2-fluoro-2-phenylethanamine

2-(4-ethylcyclohexyl)-2-fluoro-2-phenylethanamine (PubChem CID 112566374) has the molecular formula C16H24FN and a molecular weight of 249.37 g/mol. Its IUPAC name is 2-(4-ethylcyclohexyl)-2-fluoro-2-phenylethanamine.

Molecular Properties

Compound Name2-(4-ethylcyclohexyl)-2-fluoro-2-phenylethanamine
PubChem CID112566374
Molecular FormulaC16H24FN
Molecular Weight249.37 g/mol
Exact Mass249.19
IUPAC Name2-(4-ethylcyclohexyl)-2-fluoro-2-phenylethanamine
SMILESCCC1CCC(C(F)(CN)c2ccccc2)CC1
InChIInChI=1S/C16H24FN/c1-2-13-8-10-15(11-9-13)16(17,12-18)14-6-4-3-5-7-14/h3-7,13,15H,2,8-12,18H2,1H3
InChIKeyXNVHKPYCFVWHNB-UHFFFAOYSA-N
XLogP4.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.37
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Phenylpropylamine
CID 11398
Phenpromethamine
CID 22276
p-Methylphenethylamine
CID 76751
2,2-Diphenylethylamine
CID 77575
2-(2-Fluorophenyl)ethylamine
CID 643357
2-[4-(Trifluoromethyl)phenyl]ethan-1-amine
CID 1988106
Tolpropamine
CID 72141
10,11-Dihydro-5H-dibenzo(a,d)cycloheptene-5-methanamine
CID 202041
Phenpromethamine hydrochloride
CID 22275
3,3-Diphenylpropylamine
CID 79698
4-Phenylbenzylamine
CID 344989
p-Fluorophenethylamine
CID 4653

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylcyclohexyl)-2-fluoro-2-phenylethanamine?
The IUPAC name of 2-(4-ethylcyclohexyl)-2-fluoro-2-phenylethanamine (CID 112566374) is 2-(4-ethylcyclohexyl)-2-fluoro-2-phenylethanamine.
What is the SMILES notation for 2-(4-ethylcyclohexyl)-2-fluoro-2-phenylethanamine?
The canonical SMILES for 2-(4-ethylcyclohexyl)-2-fluoro-2-phenylethanamine is CCC1CCC(C(F)(CN)c2ccccc2)CC1.
What is the InChIKey of 2-(4-ethylcyclohexyl)-2-fluoro-2-phenylethanamine?
The InChIKey is XNVHKPYCFVWHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN/c1-2-13-8-10-15(11-9-13)16(17,12-18)14-6-4-3-5-7-14/h3-7,13,15H,2,8-12,18H2,1H3.
What are the key properties of 2-(4-ethylcyclohexyl)-2-fluoro-2-phenylethanamine?
2-(4-ethylcyclohexyl)-2-fluoro-2-phenylethanamine has a molecular weight of 249.37 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylcyclohexyl)-2-fluoro-2-phenylethanamine is sourced from PubChem (CID 112566374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).