N-[(1S)-1-(3-fluorophenyl)ethyl]-3-methylcyclopentan-1-amine

C14H20FN — CID 81365764

IUPACN-[(1S)-1-(3-fluorophenyl)ethyl]-3-methylcyclopentan-1-amine
SMILESCC1CCC(N[C@@H](C)c2cccc(F)c2)C1
InChIInChI=1S/C14H20FN/c1-10-6-7-14(8-10)16-11(2)12-4-3-5-13(15)9-12/h3-5,9-11,14,16H,6-8H2,1-2H3/t10?,11-,14?/m0/s1
InChIKeyWQIYBGJQDCTKCR-CVZZAPKMSA-N
MW221.32 g/mol
LogP3.66
Rot. Bonds3

About N-[(1S)-1-(3-fluorophenyl)ethyl]-3-methylcyclopentan-1-amine

N-[(1S)-1-(3-fluorophenyl)ethyl]-3-methylcyclopentan-1-amine (PubChem CID 81365764) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is N-[(1S)-1-(3-fluorophenyl)ethyl]-3-methylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(1S)-1-(3-fluorophenyl)ethyl]-3-methylcyclopentan-1-amine
PubChem CID81365764
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC NameN-[(1S)-1-(3-fluorophenyl)ethyl]-3-methylcyclopentan-1-amine
SMILESCC1CCC(N[C@@H](C)c2cccc(F)c2)C1
InChIInChI=1S/C14H20FN/c1-10-6-7-14(8-10)16-11(2)12-4-3-5-13(15)9-12/h3-5,9-11,14,16H,6-8H2,1-2H3/t10?,11-,14?/m0/s1
InChIKeyWQIYBGJQDCTKCR-CVZZAPKMSA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(3-fluorophenyl)ethyl]-3-methylcyclopentan-1-amine
CID 64502479
N-[(1S)-1-(3-fluorophenyl)ethyl]-3,4-dimethylcyclohexan-1-amine
CID 81365167
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-[(1S)-1-(3-bromophenyl)ethyl]-3-methylcyclopentan-1-amine
CID 81381354
N-[(1R)-1-(4-fluorophenyl)ethyl]-3-methylcyclopentan-1-amine
CID 81351515
N-[1-(3-fluorophenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 43078452
N-[1-(3-fluorophenyl)ethyl]cycloheptanamine
CID 43080032
N-[1-(3-fluorophenyl)ethyl]-1,2-dimethylpiperidin-4-amine
CID 81300776
N-[(1R)-1-(3-fluorophenyl)ethyl]-4-propan-2-ylcycloheptan-1-amine
CID 81369167
N-[3-[1-[(3-methylcyclopentyl)amino]ethyl]phenyl]acetamide
CID 64500396
(1R)-1-(3-fluorophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 81369388

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-fluorophenyl)ethyl]-3-methylcyclopentan-1-amine?
The IUPAC name of N-[(1S)-1-(3-fluorophenyl)ethyl]-3-methylcyclopentan-1-amine (CID 81365764) is N-[(1S)-1-(3-fluorophenyl)ethyl]-3-methylcyclopentan-1-amine.
What is the SMILES notation for N-[(1S)-1-(3-fluorophenyl)ethyl]-3-methylcyclopentan-1-amine?
The canonical SMILES for N-[(1S)-1-(3-fluorophenyl)ethyl]-3-methylcyclopentan-1-amine is CC1CCC(N[C@@H](C)c2cccc(F)c2)C1.
What is the InChIKey of N-[(1S)-1-(3-fluorophenyl)ethyl]-3-methylcyclopentan-1-amine?
The InChIKey is WQIYBGJQDCTKCR-CVZZAPKMSA-N. The full InChI is InChI=1S/C14H20FN/c1-10-6-7-14(8-10)16-11(2)12-4-3-5-13(15)9-12/h3-5,9-11,14,16H,6-8H2,1-2H3/t10?,11-,14?/m0/s1.
What are the key properties of N-[(1S)-1-(3-fluorophenyl)ethyl]-3-methylcyclopentan-1-amine?
N-[(1S)-1-(3-fluorophenyl)ethyl]-3-methylcyclopentan-1-amine has a molecular weight of 221.32 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-fluorophenyl)ethyl]-3-methylcyclopentan-1-amine is sourced from PubChem (CID 81365764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).