N-[2-(4-fluorophenyl)ethyl]-4-methylcycloheptan-1-amine

C16H24FN — CID 65080834

IUPACN-[2-(4-fluorophenyl)ethyl]-4-methylcycloheptan-1-amine
SMILESCC1CCCC(NCCc2ccc(F)cc2)CC1
InChIInChI=1S/C16H24FN/c1-13-3-2-4-16(10-5-13)18-12-11-14-6-8-15(17)9-7-14/h6-9,13,16,18H,2-5,10-12H2,1H3
InChIKeyGOPPQUBSOFNNMU-UHFFFAOYSA-N
MW249.37 g/mol
LogP3.93
Rot. Bonds4

About N-[2-(4-fluorophenyl)ethyl]-4-methylcycloheptan-1-amine

N-[2-(4-fluorophenyl)ethyl]-4-methylcycloheptan-1-amine (PubChem CID 65080834) has the molecular formula C16H24FN and a molecular weight of 249.37 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-4-methylcycloheptan-1-amine.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-4-methylcycloheptan-1-amine
PubChem CID65080834
Molecular FormulaC16H24FN
Molecular Weight249.37 g/mol
Exact Mass249.19
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-4-methylcycloheptan-1-amine
SMILESCC1CCCC(NCCc2ccc(F)cc2)CC1
InChIInChI=1S/C16H24FN/c1-13-3-2-4-16(10-5-13)18-12-11-14-6-8-15(17)9-7-14/h6-9,13,16,18H,2-5,10-12H2,1H3
InChIKeyGOPPQUBSOFNNMU-UHFFFAOYSA-N
XLogP3.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.37
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-fluorophenyl)methyl]-4-methylcycloheptan-1-amine
CID 65081377
N-[2-(4-fluorophenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 43222915
N-[2-(4-methylsulfanylphenyl)ethyl]cyclopentanamine
CID 96661182
N-[2-(4-ethylphenyl)ethyl]cyclopropanamine
CID 62550255
trans-(1R,3R)-N-[2-(4-methoxyphenyl)ethyl]-3-methylcyclohexan-1-amine
CID 784361
N-[2-(furan-2-yl)ethyl]-4-methylcycloheptan-1-amine
CID 65080639
N-[2-(4-fluorophenyl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 115998578
trans-(1R,2R)-N-[2-(4-fluorophenyl)ethyl]-2-methoxycyclohexan-1-amine
CID 791642
1-cyclopropyl-N-[2-(4-fluorophenyl)ethyl]-5-methylpyrrolidin-3-amine
CID 115704320
N-[2-(4-fluorophenyl)ethyl]-2-methyloxolan-3-amine
CID 115335502
4-methyl-N-[2-(3-methylphenyl)ethyl]cyclohexan-1-amine
CID 62313168
N-[2-(3-fluorophenyl)ethyl]-4-propan-2-ylcycloheptan-1-amine
CID 65086258

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-4-methylcycloheptan-1-amine?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-4-methylcycloheptan-1-amine (CID 65080834) is N-[2-(4-fluorophenyl)ethyl]-4-methylcycloheptan-1-amine.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-4-methylcycloheptan-1-amine?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-4-methylcycloheptan-1-amine is CC1CCCC(NCCc2ccc(F)cc2)CC1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-4-methylcycloheptan-1-amine?
The InChIKey is GOPPQUBSOFNNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN/c1-13-3-2-4-16(10-5-13)18-12-11-14-6-8-15(17)9-7-14/h6-9,13,16,18H,2-5,10-12H2,1H3.
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-4-methylcycloheptan-1-amine?
N-[2-(4-fluorophenyl)ethyl]-4-methylcycloheptan-1-amine has a molecular weight of 249.37 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-4-methylcycloheptan-1-amine is sourced from PubChem (CID 65080834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).