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

C14H20FN — CID 116926377

IUPAC4-[(3-fluorophenyl)methyl]-N-methylcyclohexan-1-amine
SMILESCNC1CCC(Cc2cccc(F)c2)CC1
InChIInChI=1S/C14H20FN/c1-16-14-7-5-11(6-8-14)9-12-3-2-4-13(15)10-12/h2-4,10-11,14,16H,5-9H2,1H3
InChIKeyJYVVXPJKVRPKSV-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.15
Rot. Bonds3

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

4-[(3-fluorophenyl)methyl]-N-methylcyclohexan-1-amine (PubChem CID 116926377) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is 4-[(3-fluorophenyl)methyl]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[(3-fluorophenyl)methyl]-N-methylcyclohexan-1-amine
PubChem CID116926377
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC Name4-[(3-fluorophenyl)methyl]-N-methylcyclohexan-1-amine
SMILESCNC1CCC(Cc2cccc(F)c2)CC1
InChIInChI=1S/C14H20FN/c1-16-14-7-5-11(6-8-14)9-12-3-2-4-13(15)10-12/h2-4,10-11,14,16H,5-9H2,1H3
InChIKeyJYVVXPJKVRPKSV-UHFFFAOYSA-N
XLogP3.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[4-[(3-fluorophenyl)methyl]cyclohexyl]methanamine
CID 90782527
4-[(4-fluoro-3-methylphenyl)methyl]-N-methylcyclohexan-1-amine
CID 116926309
ethane;4-[(3-fluorophenyl)methyl]-1-methylpiperidine
CID 163281895
4-[(3-fluorophenyl)methyl]cyclohexan-1-one
CID 83262075
1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-2-(methylamino)ethanone
CID 119736878
4-(3-fluorophenyl)-N-methylcyclohexan-1-amine
CID 82283505
1-[3-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]propyl]-4-methylpiperazine
CID 75518320
N-methyl-4-[(4-methylsulfanylphenyl)methyl]cyclohexan-1-amine
CID 116926358
N-methyl-4-[(6-methylnaphthalen-2-yl)methyl]cyclohexan-1-amine
CID 116926389
N-[1-(3-fluorophenyl)propan-2-yl]cyclopropanamine
CID 115704573
N-(cyclopropylmethyl)-1-(3-fluorophenyl)methanesulfonamide
CID 56513002
2-(cyclopropylmethylamino)-1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]ethanone;hydrochloride
CID 119736883

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluorophenyl)methyl]-N-methylcyclohexan-1-amine?
The IUPAC name of 4-[(3-fluorophenyl)methyl]-N-methylcyclohexan-1-amine (CID 116926377) is 4-[(3-fluorophenyl)methyl]-N-methylcyclohexan-1-amine.
What is the SMILES notation for 4-[(3-fluorophenyl)methyl]-N-methylcyclohexan-1-amine?
The canonical SMILES for 4-[(3-fluorophenyl)methyl]-N-methylcyclohexan-1-amine is CNC1CCC(Cc2cccc(F)c2)CC1.
What is the InChIKey of 4-[(3-fluorophenyl)methyl]-N-methylcyclohexan-1-amine?
The InChIKey is JYVVXPJKVRPKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-16-14-7-5-11(6-8-14)9-12-3-2-4-13(15)10-12/h2-4,10-11,14,16H,5-9H2,1H3.
What are the key properties of 4-[(3-fluorophenyl)methyl]-N-methylcyclohexan-1-amine?
4-[(3-fluorophenyl)methyl]-N-methylcyclohexan-1-amine has a molecular weight of 221.32 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluorophenyl)methyl]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 116926377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).