N-[1-(3-fluorophenyl)ethyl]cycloheptanamine

C15H22FN — CID 43080032

IUPACN-[1-(3-fluorophenyl)ethyl]cycloheptanamine
SMILESCC(NC1CCCCCC1)c1cccc(F)c1
InChIInChI=1S/C15H22FN/c1-12(13-7-6-8-14(16)11-13)17-15-9-4-2-3-5-10-15/h6-8,11-12,15,17H,2-5,9-10H2,1H3
InChIKeyVOWVBHKBRYOYIM-UHFFFAOYSA-N
MW235.35 g/mol
LogP4.20
Rot. Bonds3

About N-[1-(3-fluorophenyl)ethyl]cycloheptanamine

N-[1-(3-fluorophenyl)ethyl]cycloheptanamine (PubChem CID 43080032) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)ethyl]cycloheptanamine.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)ethyl]cycloheptanamine
PubChem CID43080032
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC NameN-[1-(3-fluorophenyl)ethyl]cycloheptanamine
SMILESCC(NC1CCCCCC1)c1cccc(F)c1
InChIInChI=1S/C15H22FN/c1-12(13-7-6-8-14(16)11-13)17-15-9-4-2-3-5-10-15/h6-8,11-12,15,17H,2-5,9-10H2,1H3
InChIKeyVOWVBHKBRYOYIM-UHFFFAOYSA-N
XLogP4.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1R)-1-(3-fluorophenyl)ethyl]-4-propan-2-ylcycloheptan-1-amine
CID 81369167
N-[(1R)-1-(3-fluorophenyl)ethyl]-4-methylcycloheptan-1-amine
CID 81368625
N-[(1R)-1-(3-fluorophenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 81368804
N-[(1R)-1-(3-bromophenyl)ethyl]cyclooctanamine
CID 28555572
N-[1-(3-fluorophenyl)ethyl]-3-methylcyclopentan-1-amine
CID 64502479
N-[(1S)-1-(3-fluorophenyl)ethyl]-3-methylcyclopentan-1-amine
CID 81365764
N-(1-phenylethyl)cyclododecanamine
CID 60662638
N-[(1S)-1-(3-fluorophenyl)ethyl]-3,4-dimethylcyclohexan-1-amine
CID 81365167
2-tert-butyl-N-[(1S)-1-(3-fluorophenyl)ethyl]cyclohexan-1-amine
CID 81364809
2-tert-butyl-N-[(1R)-1-(3-fluorophenyl)ethyl]cyclohexan-1-amine
CID 81369390
2-tert-butyl-N-[1-(3-fluorophenyl)ethyl]cyclohexan-1-amine
CID 43078909
N-[1-(3,4-difluorophenyl)ethyl]cycloheptanamine
CID 43081886

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)ethyl]cycloheptanamine?
The IUPAC name of N-[1-(3-fluorophenyl)ethyl]cycloheptanamine (CID 43080032) is N-[1-(3-fluorophenyl)ethyl]cycloheptanamine.
What is the SMILES notation for N-[1-(3-fluorophenyl)ethyl]cycloheptanamine?
The canonical SMILES for N-[1-(3-fluorophenyl)ethyl]cycloheptanamine is CC(NC1CCCCCC1)c1cccc(F)c1.
What is the InChIKey of N-[1-(3-fluorophenyl)ethyl]cycloheptanamine?
The InChIKey is VOWVBHKBRYOYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN/c1-12(13-7-6-8-14(16)11-13)17-15-9-4-2-3-5-10-15/h6-8,11-12,15,17H,2-5,9-10H2,1H3.
What are the key properties of N-[1-(3-fluorophenyl)ethyl]cycloheptanamine?
N-[1-(3-fluorophenyl)ethyl]cycloheptanamine has a molecular weight of 235.35 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)ethyl]cycloheptanamine is sourced from PubChem (CID 43080032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).