1-[(3,5-difluorophenyl)methyl]-3-ethylcyclopentan-1-amine

C14H19F2N — CID 105403034

IUPAC1-[(3,5-difluorophenyl)methyl]-3-ethylcyclopentan-1-amine
SMILESCCC1CCC(N)(Cc2cc(F)cc(F)c2)C1
InChIInChI=1S/C14H19F2N/c1-2-10-3-4-14(17,8-10)9-11-5-12(15)7-13(16)6-11/h5-7,10H,2-4,8-9,17H2,1H3
InChIKeyLCXWTBYBNPTERE-UHFFFAOYSA-N
MW239.31 g/mol
LogP3.41
Rot. Bonds3

About 1-[(3,5-difluorophenyl)methyl]-3-ethylcyclopentan-1-amine

1-[(3,5-difluorophenyl)methyl]-3-ethylcyclopentan-1-amine (PubChem CID 105403034) has the molecular formula C14H19F2N and a molecular weight of 239.31 g/mol. Its IUPAC name is 1-[(3,5-difluorophenyl)methyl]-3-ethylcyclopentan-1-amine.

Molecular Properties

Compound Name1-[(3,5-difluorophenyl)methyl]-3-ethylcyclopentan-1-amine
PubChem CID105403034
Molecular FormulaC14H19F2N
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name1-[(3,5-difluorophenyl)methyl]-3-ethylcyclopentan-1-amine
SMILESCCC1CCC(N)(Cc2cc(F)cc(F)c2)C1
InChIInChI=1S/C14H19F2N/c1-2-10-3-4-14(17,8-10)9-11-5-12(15)7-13(16)6-11/h5-7,10H,2-4,8-9,17H2,1H3
InChIKeyLCXWTBYBNPTERE-UHFFFAOYSA-N
XLogP3.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethyl-1-[(4-fluorophenyl)methyl]cyclopentan-1-amine
CID 64516010
1-[(3,5-difluorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine
CID 107430049
1-[(4-tert-butylphenyl)methyl]-3-ethylcyclopentan-1-amine
CID 64513179
1-[(4-chloro-3-fluorophenyl)methyl]-3-ethylcyclohexan-1-amine
CID 114012587
4-ethyl-1-[(4-fluorophenyl)methyl]cycloheptan-1-amine
CID 65082624
1-[(3-bromo-5-fluorophenyl)methyl]-3-ethylcyclopentane-1-carbonitrile
CID 79711393
1-[(4-chloro-3-fluorophenyl)methyl]-4-ethylcyclohexan-1-amine
CID 107883803
1-[(4-bromothiophen-2-yl)methyl]-3-ethylcyclopentan-1-amine
CID 64513419
1-[(3-bromo-5-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 79702899
1-[(3-bromo-5-fluorophenyl)methyl]cyclopropan-1-amine
CID 79711556
1-[(2-bromophenyl)methyl]-3-ethylcyclopentan-1-amine
CID 64513879
3-ethyl-1-(furan-2-ylmethyl)cyclopentan-1-amine
CID 65422690

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-difluorophenyl)methyl]-3-ethylcyclopentan-1-amine?
The IUPAC name of 1-[(3,5-difluorophenyl)methyl]-3-ethylcyclopentan-1-amine (CID 105403034) is 1-[(3,5-difluorophenyl)methyl]-3-ethylcyclopentan-1-amine.
What is the SMILES notation for 1-[(3,5-difluorophenyl)methyl]-3-ethylcyclopentan-1-amine?
The canonical SMILES for 1-[(3,5-difluorophenyl)methyl]-3-ethylcyclopentan-1-amine is CCC1CCC(N)(Cc2cc(F)cc(F)c2)C1.
What is the InChIKey of 1-[(3,5-difluorophenyl)methyl]-3-ethylcyclopentan-1-amine?
The InChIKey is LCXWTBYBNPTERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N/c1-2-10-3-4-14(17,8-10)9-11-5-12(15)7-13(16)6-11/h5-7,10H,2-4,8-9,17H2,1H3.
What are the key properties of 1-[(3,5-difluorophenyl)methyl]-3-ethylcyclopentan-1-amine?
1-[(3,5-difluorophenyl)methyl]-3-ethylcyclopentan-1-amine has a molecular weight of 239.31 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-difluorophenyl)methyl]-3-ethylcyclopentan-1-amine is sourced from PubChem (CID 105403034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).