N-[(1R)-1-(3-fluorophenyl)ethyl]-4-methylcycloheptan-1-amine

C16H24FN — CID 81368625

IUPACN-[(1R)-1-(3-fluorophenyl)ethyl]-4-methylcycloheptan-1-amine
SMILESCC1CCCC(N[C@H](C)c2cccc(F)c2)CC1
InChIInChI=1S/C16H24FN/c1-12-5-3-8-16(10-9-12)18-13(2)14-6-4-7-15(17)11-14/h4,6-7,11-13,16,18H,3,5,8-10H2,1-2H3/t12?,13-,16?/m1/s1
InChIKeySZLOZLYETHBOEH-MFOWVQHXSA-N
MW249.37 g/mol
LogP4.45
Rot. Bonds3

About N-[(1R)-1-(3-fluorophenyl)ethyl]-4-methylcycloheptan-1-amine

N-[(1R)-1-(3-fluorophenyl)ethyl]-4-methylcycloheptan-1-amine (PubChem CID 81368625) has the molecular formula C16H24FN and a molecular weight of 249.37 g/mol. Its IUPAC name is N-[(1R)-1-(3-fluorophenyl)ethyl]-4-methylcycloheptan-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-(3-fluorophenyl)ethyl]-4-methylcycloheptan-1-amine
PubChem CID81368625
Molecular FormulaC16H24FN
Molecular Weight249.37 g/mol
Exact Mass249.19
IUPAC NameN-[(1R)-1-(3-fluorophenyl)ethyl]-4-methylcycloheptan-1-amine
SMILESCC1CCCC(N[C@H](C)c2cccc(F)c2)CC1
InChIInChI=1S/C16H24FN/c1-12-5-3-8-16(10-9-12)18-13(2)14-6-4-7-15(17)11-14/h4,6-7,11-13,16,18H,3,5,8-10H2,1-2H3/t12?,13-,16?/m1/s1
InChIKeySZLOZLYETHBOEH-MFOWVQHXSA-N
XLogP4.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.37
LogP ≤ 54.45
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-[1-(3-fluorophenyl)ethyl]cycloheptanamine
CID 43080032
N-[1-(3-fluorophenyl)ethyl]-3-methylcyclopentan-1-amine
CID 64502479
N-[(1S)-1-(3-fluorophenyl)ethyl]-3-methylcyclopentan-1-amine
CID 81365764
N-[(1S)-1-(3-fluorophenyl)ethyl]-3,4-dimethylcyclohexan-1-amine
CID 81365167
N-[(1R)-1-(3-fluorophenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 81368804
(1R)-1-(3-fluorophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 81369388
N-[(1S)-1-(3-fluorophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine
CID 81365854
trans-(1R,2R)-2-[1-(3-fluorophenyl)ethylamino]cyclopentan-1-ol
CID 102733281
N-[1-(3-fluorophenyl)ethyl]-2-methoxycyclopentan-1-amine
CID 55033361
3-[1-[(4-methylcyclohexyl)amino]ethyl]benzonitrile
CID 43761537
N-[1-(3-fluorophenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 43078452

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-fluorophenyl)ethyl]-4-methylcycloheptan-1-amine?
The IUPAC name of N-[(1R)-1-(3-fluorophenyl)ethyl]-4-methylcycloheptan-1-amine (CID 81368625) is N-[(1R)-1-(3-fluorophenyl)ethyl]-4-methylcycloheptan-1-amine.
What is the SMILES notation for N-[(1R)-1-(3-fluorophenyl)ethyl]-4-methylcycloheptan-1-amine?
The canonical SMILES for N-[(1R)-1-(3-fluorophenyl)ethyl]-4-methylcycloheptan-1-amine is CC1CCCC(N[C@H](C)c2cccc(F)c2)CC1.
What is the InChIKey of N-[(1R)-1-(3-fluorophenyl)ethyl]-4-methylcycloheptan-1-amine?
The InChIKey is SZLOZLYETHBOEH-MFOWVQHXSA-N. The full InChI is InChI=1S/C16H24FN/c1-12-5-3-8-16(10-9-12)18-13(2)14-6-4-7-15(17)11-14/h4,6-7,11-13,16,18H,3,5,8-10H2,1-2H3/t12?,13-,16?/m1/s1.
What are the key properties of N-[(1R)-1-(3-fluorophenyl)ethyl]-4-methylcycloheptan-1-amine?
N-[(1R)-1-(3-fluorophenyl)ethyl]-4-methylcycloheptan-1-amine has a molecular weight of 249.37 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-fluorophenyl)ethyl]-4-methylcycloheptan-1-amine is sourced from PubChem (CID 81368625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).