3-[(4-fluoro-2-methylphenyl)methyl]-2-methylcyclopentan-1-amine

C14H20FN — CID 114349423

IUPAC3-[(4-fluoro-2-methylphenyl)methyl]-2-methylcyclopentan-1-amine
SMILESCc1cc(F)ccc1CC1CCC(N)C1C
InChIInChI=1S/C14H20FN/c1-9-7-13(15)5-3-11(9)8-12-4-6-14(16)10(12)2/h3,5,7,10,12,14H,4,6,8,16H2,1-2H3
InChIKeyHNPFINMHWDNBAM-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.05
Rot. Bonds2

About 3-[(4-fluoro-2-methylphenyl)methyl]-2-methylcyclopentan-1-amine

3-[(4-fluoro-2-methylphenyl)methyl]-2-methylcyclopentan-1-amine (PubChem CID 114349423) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is 3-[(4-fluoro-2-methylphenyl)methyl]-2-methylcyclopentan-1-amine.

Molecular Properties

Compound Name3-[(4-fluoro-2-methylphenyl)methyl]-2-methylcyclopentan-1-amine
PubChem CID114349423
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC Name3-[(4-fluoro-2-methylphenyl)methyl]-2-methylcyclopentan-1-amine
SMILESCc1cc(F)ccc1CC1CCC(N)C1C
InChIInChI=1S/C14H20FN/c1-9-7-13(15)5-3-11(9)8-12-4-6-14(16)10(12)2/h3,5,7,10,12,14H,4,6,8,16H2,1-2H3
InChIKeyHNPFINMHWDNBAM-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-[(5-fluoro-2-methylphenyl)methyl]-2-methylcyclopentan-1-amine
CID 105375553
1-[(3-chloro-2-methylcyclopentyl)methyl]-4-fluoro-2-methylbenzene
CID 114349477
3-[(2,5-difluorophenyl)methyl]-2-methylcyclopentan-1-amine
CID 64910057
[2-[(4-fluoro-2-methylphenyl)methyl]cyclohexyl]methanamine
CID 114350126
4-[(4-fluoro-2-methylphenyl)methyl]thiolan-3-amine
CID 114346511
3-[(4-fluoro-2-methylphenyl)methyl]cyclobutan-1-amine
CID 130531868
1-chloro-2-[(4-fluoro-2-methylphenyl)methyl]cycloheptane
CID 114348646
N-[[2-[(4-fluoro-2-methylphenyl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine
CID 114350178
1-[(3-chloro-2-methylcyclopentyl)methyl]-2,4-difluorobenzene
CID 64908376
3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylcyclopentan-1-amine
CID 104795133
2-[(4-fluoro-2-methylphenyl)methyl]-4-methyl-N-propylcyclohexan-1-amine
CID 114346488
N-[[2-[(4-fluoro-2-methylphenyl)methyl]cycloheptyl]methyl]propan-2-amine
CID 114350172

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluoro-2-methylphenyl)methyl]-2-methylcyclopentan-1-amine?
The IUPAC name of 3-[(4-fluoro-2-methylphenyl)methyl]-2-methylcyclopentan-1-amine (CID 114349423) is 3-[(4-fluoro-2-methylphenyl)methyl]-2-methylcyclopentan-1-amine.
What is the SMILES notation for 3-[(4-fluoro-2-methylphenyl)methyl]-2-methylcyclopentan-1-amine?
The canonical SMILES for 3-[(4-fluoro-2-methylphenyl)methyl]-2-methylcyclopentan-1-amine is Cc1cc(F)ccc1CC1CCC(N)C1C.
What is the InChIKey of 3-[(4-fluoro-2-methylphenyl)methyl]-2-methylcyclopentan-1-amine?
The InChIKey is HNPFINMHWDNBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-9-7-13(15)5-3-11(9)8-12-4-6-14(16)10(12)2/h3,5,7,10,12,14H,4,6,8,16H2,1-2H3.
What are the key properties of 3-[(4-fluoro-2-methylphenyl)methyl]-2-methylcyclopentan-1-amine?
3-[(4-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-[(4-fluoro-2-methylphenyl)methyl]-2-methylcyclopentan-1-amine is sourced from PubChem (CID 114349423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).