(3-ethylcyclopentyl)-(2-fluoro-4,6-dimethylphenyl)methanamine

C16H24FN — CID 106881656

IUPAC(3-ethylcyclopentyl)-(2-fluoro-4,6-dimethylphenyl)methanamine
SMILESCCC1CCC(C(N)c2c(C)cc(C)cc2F)C1
InChIInChI=1S/C16H24FN/c1-4-12-5-6-13(9-12)16(18)15-11(3)7-10(2)8-14(15)17/h7-8,12-13,16H,4-6,9,18H2,1-3H3
InChIKeyZWKSAFBGIGQCIT-UHFFFAOYSA-N
MW249.37 g/mol
LogP4.27
Rot. Bonds3

About (3-ethylcyclopentyl)-(2-fluoro-4,6-dimethylphenyl)methanamine

(3-ethylcyclopentyl)-(2-fluoro-4,6-dimethylphenyl)methanamine (PubChem CID 106881656) has the molecular formula C16H24FN and a molecular weight of 249.37 g/mol. Its IUPAC name is (3-ethylcyclopentyl)-(2-fluoro-4,6-dimethylphenyl)methanamine.

Molecular Properties

Compound Name(3-ethylcyclopentyl)-(2-fluoro-4,6-dimethylphenyl)methanamine
PubChem CID106881656
Molecular FormulaC16H24FN
Molecular Weight249.37 g/mol
Exact Mass249.19
IUPAC Name(3-ethylcyclopentyl)-(2-fluoro-4,6-dimethylphenyl)methanamine
SMILESCCC1CCC(C(N)c2c(C)cc(C)cc2F)C1
InChIInChI=1S/C16H24FN/c1-4-12-5-6-13(9-12)16(18)15-11(3)7-10(2)8-14(15)17/h7-8,12-13,16H,4-6,9,18H2,1-3H3
InChIKeyZWKSAFBGIGQCIT-UHFFFAOYSA-N
XLogP4.27
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.37
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-tert-butylcyclohexyl)-(2-fluoro-4,6-dimethylphenyl)methanamine
CID 106881648
(2,4-dimethylphenyl)-(3-ethylcyclopentyl)methanamine
CID 65412175
(4-bromo-2,6-difluorophenyl)-(3-ethylcyclohexyl)methanamine
CID 104992584
(2,5-dimethylphenyl)-(3-ethylcyclopentyl)methanamine
CID 65410620
(2-fluoro-4,6-dimethylphenyl)-(2-methylcyclopropyl)methanamine
CID 106881667
2-cycloheptyl-1-(2-fluoro-4,6-dimethylphenyl)ethanamine
CID 106883593
(3,4-dimethylcyclohexyl)-(2,4,6-trimethylphenyl)methanamine
CID 104989384
(3-ethylcyclopentyl)-(4-fluorophenyl)methanamine
CID 65410226
(2,6-difluorophenyl)-(3-ethylcyclohexyl)methanamine
CID 65412911
(3-ethylcyclopentyl)-(3-methylphenyl)methanamine
CID 65410214
(3-ethyl-1,4-dithian-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanamine
CID 106881896
(3-ethylcyclopentyl)-(3-fluoro-4-methylphenyl)methanol
CID 107128518

Frequently Asked Questions

What is the IUPAC name of (3-ethylcyclopentyl)-(2-fluoro-4,6-dimethylphenyl)methanamine?
The IUPAC name of (3-ethylcyclopentyl)-(2-fluoro-4,6-dimethylphenyl)methanamine (CID 106881656) is (3-ethylcyclopentyl)-(2-fluoro-4,6-dimethylphenyl)methanamine.
What is the SMILES notation for (3-ethylcyclopentyl)-(2-fluoro-4,6-dimethylphenyl)methanamine?
The canonical SMILES for (3-ethylcyclopentyl)-(2-fluoro-4,6-dimethylphenyl)methanamine is CCC1CCC(C(N)c2c(C)cc(C)cc2F)C1.
What is the InChIKey of (3-ethylcyclopentyl)-(2-fluoro-4,6-dimethylphenyl)methanamine?
The InChIKey is ZWKSAFBGIGQCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN/c1-4-12-5-6-13(9-12)16(18)15-11(3)7-10(2)8-14(15)17/h7-8,12-13,16H,4-6,9,18H2,1-3H3.
What are the key properties of (3-ethylcyclopentyl)-(2-fluoro-4,6-dimethylphenyl)methanamine?
(3-ethylcyclopentyl)-(2-fluoro-4,6-dimethylphenyl)methanamine has a molecular weight of 249.37 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylcyclopentyl)-(2-fluoro-4,6-dimethylphenyl)methanamine is sourced from PubChem (CID 106881656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).