2-(4-fluoro-3-methylphenyl)-N-methylcycloheptan-1-amine

C15H22FN — CID 62801613

IUPAC2-(4-fluoro-3-methylphenyl)-N-methylcycloheptan-1-amine
SMILESCNC1CCCCCC1c1ccc(F)c(C)c1
InChIInChI=1S/C15H22FN/c1-11-10-12(8-9-14(11)16)13-6-4-3-5-7-15(13)17-2/h8-10,13,15,17H,3-7H2,1-2H3
InChIKeyZWFANVLNBPBABV-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.77
Rot. Bonds2

About 2-(4-fluoro-3-methylphenyl)-N-methylcycloheptan-1-amine

2-(4-fluoro-3-methylphenyl)-N-methylcycloheptan-1-amine (PubChem CID 62801613) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is 2-(4-fluoro-3-methylphenyl)-N-methylcycloheptan-1-amine.

Molecular Properties

Compound Name2-(4-fluoro-3-methylphenyl)-N-methylcycloheptan-1-amine
PubChem CID62801613
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC Name2-(4-fluoro-3-methylphenyl)-N-methylcycloheptan-1-amine
SMILESCNC1CCCCCC1c1ccc(F)c(C)c1
InChIInChI=1S/C15H22FN/c1-11-10-12(8-9-14(11)16)13-6-4-3-5-7-15(13)17-2/h8-10,13,15,17H,3-7H2,1-2H3
InChIKeyZWFANVLNBPBABV-UHFFFAOYSA-N
XLogP3.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

trans-(1S,2R)-2-(4-fluoro-3-methylphenyl)cyclohexan-1-ol
CID 26595178
3-(4-fluoro-3-methylphenyl)-N,2-dimethylcyclobutan-1-amine
CID 81418202
2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylcyclohexan-1-amine
CID 107290013
2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylcyclopentan-1-amine
CID 107290018
1-[2-(4-fluoro-3-methylphenyl)cyclopentyl]-N-methylmethanamine
CID 81034558
2-(3,4-dimethoxyphenyl)-N-methylcycloheptan-1-amine
CID 62801123
2-(4-bromophenyl)-N-methylcycloheptan-1-amine
CID 82249332
cis-(1S,2S)-N-methyl-2-(4-methylphenyl)cyclopentan-1-amine
CID 94869351
N-[[2-(4-fluoro-3-methylphenyl)cycloheptyl]methyl]-2-methylpropan-1-amine
CID 81034748
2-(3-cyclobutylphenyl)-N-methylcyclohexan-1-amine
CID 114605834
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methylcyclohexan-1-amine
CID 62801780
(1R)-2-(4-fluoro-3-methylphenyl)cyclopropan-1-amine
CID 70211695

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-methylphenyl)-N-methylcycloheptan-1-amine?
The IUPAC name of 2-(4-fluoro-3-methylphenyl)-N-methylcycloheptan-1-amine (CID 62801613) is 2-(4-fluoro-3-methylphenyl)-N-methylcycloheptan-1-amine.
What is the SMILES notation for 2-(4-fluoro-3-methylphenyl)-N-methylcycloheptan-1-amine?
The canonical SMILES for 2-(4-fluoro-3-methylphenyl)-N-methylcycloheptan-1-amine is CNC1CCCCCC1c1ccc(F)c(C)c1.
What is the InChIKey of 2-(4-fluoro-3-methylphenyl)-N-methylcycloheptan-1-amine?
The InChIKey is ZWFANVLNBPBABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN/c1-11-10-12(8-9-14(11)16)13-6-4-3-5-7-15(13)17-2/h8-10,13,15,17H,3-7H2,1-2H3.
What are the key properties of 2-(4-fluoro-3-methylphenyl)-N-methylcycloheptan-1-amine?
2-(4-fluoro-3-methylphenyl)-N-methylcycloheptan-1-amine has a molecular weight of 235.35 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-3-methylphenyl)-N-methylcycloheptan-1-amine is sourced from PubChem (CID 62801613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).