4-ethyl-1-[(4-fluorophenyl)methyl]cycloheptan-1-amine

C16H24FN — CID 65082624

IUPAC4-ethyl-1-[(4-fluorophenyl)methyl]cycloheptan-1-amine
SMILESCCC1CCCC(N)(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C16H24FN/c1-2-13-4-3-10-16(18,11-9-13)12-14-5-7-15(17)8-6-14/h5-8,13H,2-4,9-12,18H2,1H3
InChIKeyKUSNVJOMWOPJQZ-UHFFFAOYSA-N
MW249.37 g/mol
LogP4.06
Rot. Bonds3

About 4-ethyl-1-[(4-fluorophenyl)methyl]cycloheptan-1-amine

4-ethyl-1-[(4-fluorophenyl)methyl]cycloheptan-1-amine (PubChem CID 65082624) has the molecular formula C16H24FN and a molecular weight of 249.37 g/mol. Its IUPAC name is 4-ethyl-1-[(4-fluorophenyl)methyl]cycloheptan-1-amine.

Molecular Properties

Compound Name4-ethyl-1-[(4-fluorophenyl)methyl]cycloheptan-1-amine
PubChem CID65082624
Molecular FormulaC16H24FN
Molecular Weight249.37 g/mol
Exact Mass249.19
IUPAC Name4-ethyl-1-[(4-fluorophenyl)methyl]cycloheptan-1-amine
SMILESCCC1CCCC(N)(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C16H24FN/c1-2-13-4-3-10-16(18,11-9-13)12-14-5-7-15(17)8-6-14/h5-8,13H,2-4,9-12,18H2,1H3
InChIKeyKUSNVJOMWOPJQZ-UHFFFAOYSA-N
XLogP4.06
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 ≤ 54.06
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
ethane;4-ethyl-1-[(4-fluorophenyl)methyl]cyclohexan-1-amine;2-methylprop-1-ene;1,4-xylene
CID 143231258
1-[(4-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 60798898
1-[(4-fluorophenyl)methyl]cyclobutan-1-amine;hydrochloride
CID 86277096
1-[(4-chloro-3-fluorophenyl)methyl]-4-ethylcyclohexan-1-amine
CID 107883803
1-[(4-chloro-3-fluorophenyl)methyl]-3-ethylcyclohexan-1-amine
CID 114012587
1-[(3,4-difluorophenyl)methyl]-4-propylcycloheptan-1-amine
CID 82919808
1-[(3-bromo-4-fluorophenyl)methyl]-4-propylcycloheptan-1-amine
CID 65086350
1-[(3,5-difluorophenyl)methyl]-3-ethylcyclopentan-1-amine
CID 105403034
1-[(2-chlorophenyl)methyl]-4-ethylcycloheptan-1-amine
CID 65082267
1-[(4-tert-butylphenyl)methyl]-3-ethylcyclopentan-1-amine
CID 64513179
3-ethyl-1-[(4-nitrophenyl)methyl]cyclohexan-1-amine
CID 65422470

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[(4-fluorophenyl)methyl]cycloheptan-1-amine?
The IUPAC name of 4-ethyl-1-[(4-fluorophenyl)methyl]cycloheptan-1-amine (CID 65082624) is 4-ethyl-1-[(4-fluorophenyl)methyl]cycloheptan-1-amine.
What is the SMILES notation for 4-ethyl-1-[(4-fluorophenyl)methyl]cycloheptan-1-amine?
The canonical SMILES for 4-ethyl-1-[(4-fluorophenyl)methyl]cycloheptan-1-amine is CCC1CCCC(N)(Cc2ccc(F)cc2)CC1.
What is the InChIKey of 4-ethyl-1-[(4-fluorophenyl)methyl]cycloheptan-1-amine?
The InChIKey is KUSNVJOMWOPJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN/c1-2-13-4-3-10-16(18,11-9-13)12-14-5-7-15(17)8-6-14/h5-8,13H,2-4,9-12,18H2,1H3.
What are the key properties of 4-ethyl-1-[(4-fluorophenyl)methyl]cycloheptan-1-amine?
4-ethyl-1-[(4-fluorophenyl)methyl]cycloheptan-1-amine has a molecular weight of 249.37 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[(4-fluorophenyl)methyl]cycloheptan-1-amine is sourced from PubChem (CID 65082624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).