3-[(5-fluoro-2-methylphenyl)methyl]-2-methylcyclopentan-1-amine

C14H20FN — CID 105375553

IUPAC3-[(5-fluoro-2-methylphenyl)methyl]-2-methylcyclopentan-1-amine
SMILESCc1ccc(F)cc1CC1CCC(N)C1C
InChIInChI=1S/C14H20FN/c1-9-3-5-13(15)8-12(9)7-11-4-6-14(16)10(11)2/h3,5,8,10-11,14H,4,6-7,16H2,1-2H3
InChIKeyAQCMVTVFDVWFIX-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.05
Rot. Bonds2

About 3-[(5-fluoro-2-methylphenyl)methyl]-2-methylcyclopentan-1-amine

3-[(5-fluoro-2-methylphenyl)methyl]-2-methylcyclopentan-1-amine (PubChem CID 105375553) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is 3-[(5-fluoro-2-methylphenyl)methyl]-2-methylcyclopentan-1-amine.

Molecular Properties

Compound Name3-[(5-fluoro-2-methylphenyl)methyl]-2-methylcyclopentan-1-amine
PubChem CID105375553
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC Name3-[(5-fluoro-2-methylphenyl)methyl]-2-methylcyclopentan-1-amine
SMILESCc1ccc(F)cc1CC1CCC(N)C1C
InChIInChI=1S/C14H20FN/c1-9-3-5-13(15)8-12(9)7-11-4-6-14(16)10(11)2/h3,5,8,10-11,14H,4,6-7,16H2,1-2H3
InChIKeyAQCMVTVFDVWFIX-UHFFFAOYSA-N
XLogP3.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(4-fluoro-2-methylphenyl)methyl]-2-methylcyclopentan-1-amine
CID 114349423
3-[(2,5-difluorophenyl)methyl]-2-methylcyclopentan-1-amine
CID 64910057
[2-[(5-fluoro-2-methylphenyl)methyl]cyclohexyl]methanamine
CID 105376265
3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylcyclopentan-1-amine
CID 104795133
1-[(3-chloro-2-methylcyclopentyl)methyl]-4-fluoro-2-methylbenzene
CID 114349477
N-[[2-[(5-fluoro-2-methylphenyl)methyl]-4-methylcyclohexyl]methyl]propan-1-amine
CID 105376317
2-[(2-bromo-5-fluorophenyl)methyl]cyclobutan-1-amine
CID 81015031
N-ethyl-2-[(5-fluoro-2-methylphenyl)methyl]-4-methylcyclohexan-1-amine
CID 105372334
N-ethyl-2-[(5-fluoro-2-methylphenyl)methyl]cyclohexan-1-amine
CID 105372322
N-[[2-[(5-fluoro-2-methylphenyl)methyl]cycloheptyl]methyl]propan-2-amine
CID 105376313
1-bromo-2-[(3-chloro-2-methylcyclopentyl)methyl]-4-fluorobenzene
CID 64910113
1-[(3-chloro-2-methylcyclopentyl)methyl]-2,4-difluorobenzene
CID 64908376

Frequently Asked Questions

What is the IUPAC name of 3-[(5-fluoro-2-methylphenyl)methyl]-2-methylcyclopentan-1-amine?
The IUPAC name of 3-[(5-fluoro-2-methylphenyl)methyl]-2-methylcyclopentan-1-amine (CID 105375553) is 3-[(5-fluoro-2-methylphenyl)methyl]-2-methylcyclopentan-1-amine.
What is the SMILES notation for 3-[(5-fluoro-2-methylphenyl)methyl]-2-methylcyclopentan-1-amine?
The canonical SMILES for 3-[(5-fluoro-2-methylphenyl)methyl]-2-methylcyclopentan-1-amine is Cc1ccc(F)cc1CC1CCC(N)C1C.
What is the InChIKey of 3-[(5-fluoro-2-methylphenyl)methyl]-2-methylcyclopentan-1-amine?
The InChIKey is AQCMVTVFDVWFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-9-3-5-13(15)8-12(9)7-11-4-6-14(16)10(11)2/h3,5,8,10-11,14H,4,6-7,16H2,1-2H3.
What are the key properties of 3-[(5-fluoro-2-methylphenyl)methyl]-2-methylcyclopentan-1-amine?
3-[(5-fluoro-2-methylphenyl)methyl]-2-methylcyclopentan-1-amine has a molecular weight of 221.32 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-fluoro-2-methylphenyl)methyl]-2-methylcyclopentan-1-amine is sourced from PubChem (CID 105375553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).