4-(3-fluorophenyl)-N-methylcyclohexan-1-amine

C13H18FN — CID 82283505

IUPAC4-(3-fluorophenyl)-N-methylcyclohexan-1-amine
SMILESCNC1CCC(c2cccc(F)c2)CC1
InChIInChI=1S/C13H18FN/c1-15-13-7-5-10(6-8-13)11-3-2-4-12(14)9-11/h2-4,9-10,13,15H,5-8H2,1H3
InChIKeyKUSSQVKLRMTWJC-UHFFFAOYSA-N
MW207.29 g/mol
LogP3.07
Rot. Bonds2

About 4-(3-fluorophenyl)-N-methylcyclohexan-1-amine

4-(3-fluorophenyl)-N-methylcyclohexan-1-amine (PubChem CID 82283505) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-(3-fluorophenyl)-N-methylcyclohexan-1-amine
PubChem CID82283505
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC Name4-(3-fluorophenyl)-N-methylcyclohexan-1-amine
SMILESCNC1CCC(c2cccc(F)c2)CC1
InChIInChI=1S/C13H18FN/c1-15-13-7-5-10(6-8-13)11-3-2-4-12(14)9-11/h2-4,9-10,13,15H,5-8H2,1H3
InChIKeyKUSSQVKLRMTWJC-UHFFFAOYSA-N
XLogP3.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(3-fluorophenyl)-N,1-dimethylpiperidin-3-amine
CID 83989552
4-[3-(1,1-difluoropropyl)phenyl]-N-methylcyclohexan-1-amine
CID 116992553
4-[(3-fluorophenyl)methyl]-N-methylcyclohexan-1-amine
CID 116926377
4-(2,5-difluorophenyl)-N-methylcyclohexan-1-amine
CID 116962663
N-methyl-4-naphthalen-2-ylcyclohexan-1-amine
CID 116962734
N-[3-(3-fluorophenyl)cyclobutyl]hydroxylamine
CID 82686213
1-[4-[3-(4-butylcyclohexyl)propyl]cyclohexyl]-3-fluorobenzene
CID 139725252
2-[4-(3-fluorophenyl)cyclohexyl]-5-methyloxane
CID 142899993
1-fluoro-3-[4-(4-fluorobutyl)cyclohexyl]benzene
CID 20663504
4-[amino-(3-fluorophenyl)methyl]-N-methylcyclohexan-1-amine
CID 116937261
4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine
CID 63348552
4-N-[4-(3-cyclopropylphenyl)-5-fluoropyrimidin-2-yl]-1-N-methylcyclohexane-1,4-diamine
CID 172590151

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-N-methylcyclohexan-1-amine?
The IUPAC name of 4-(3-fluorophenyl)-N-methylcyclohexan-1-amine (CID 82283505) is 4-(3-fluorophenyl)-N-methylcyclohexan-1-amine.
What is the SMILES notation for 4-(3-fluorophenyl)-N-methylcyclohexan-1-amine?
The canonical SMILES for 4-(3-fluorophenyl)-N-methylcyclohexan-1-amine is CNC1CCC(c2cccc(F)c2)CC1.
What is the InChIKey of 4-(3-fluorophenyl)-N-methylcyclohexan-1-amine?
The InChIKey is KUSSQVKLRMTWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN/c1-15-13-7-5-10(6-8-13)11-3-2-4-12(14)9-11/h2-4,9-10,13,15H,5-8H2,1H3.
What are the key properties of 4-(3-fluorophenyl)-N-methylcyclohexan-1-amine?
4-(3-fluorophenyl)-N-methylcyclohexan-1-amine has a molecular weight of 207.29 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-N-methylcyclohexan-1-amine is sourced from PubChem (CID 82283505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).