1-[(4-fluorophenyl)methyl]-3-methylcyclohexan-1-amine

C14H20FN — CID 60798898

IUPAC1-[(4-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
SMILESCC1CCCC(N)(Cc2ccc(F)cc2)C1
InChIInChI=1S/C14H20FN/c1-11-3-2-8-14(16,9-11)10-12-4-6-13(15)7-5-12/h4-7,11H,2-3,8-10,16H2,1H3
InChIKeyNASWIPMEZDHAPA-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.28
Rot. Bonds2

About 1-[(4-fluorophenyl)methyl]-3-methylcyclohexan-1-amine

1-[(4-fluorophenyl)methyl]-3-methylcyclohexan-1-amine (PubChem CID 60798898) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
PubChem CID60798898
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC Name1-[(4-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
SMILESCC1CCCC(N)(Cc2ccc(F)cc2)C1
InChIInChI=1S/C14H20FN/c1-11-3-2-8-14(16,9-11)10-12-4-6-13(15)7-5-12/h4-7,11H,2-3,8-10,16H2,1H3
InChIKeyNASWIPMEZDHAPA-UHFFFAOYSA-N
XLogP3.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-methylcyclohexan-1-amine?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-methylcyclohexan-1-amine (CID 60798898) is 1-[(4-fluorophenyl)methyl]-3-methylcyclohexan-1-amine.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-methylcyclohexan-1-amine?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-methylcyclohexan-1-amine is CC1CCCC(N)(Cc2ccc(F)cc2)C1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-methylcyclohexan-1-amine?
The InChIKey is NASWIPMEZDHAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-11-3-2-8-14(16,9-11)10-12-4-6-13(15)7-5-12/h4-7,11H,2-3,8-10,16H2,1H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-methylcyclohexan-1-amine?
1-[(4-fluorophenyl)methyl]-3-methylcyclohexan-1-amine has a molecular weight of 221.32 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-methylcyclohexan-1-amine is sourced from PubChem (CID 60798898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).