3-amino-1-[(4-fluoro-2-methylphenyl)methyl]cyclopentan-1-ol

C13H18FNO — CID 114346957

IUPAC3-amino-1-[(4-fluoro-2-methylphenyl)methyl]cyclopentan-1-ol
SMILESCc1cc(F)ccc1CC1(O)CCC(N)C1
InChIInChI=1S/C13H18FNO/c1-9-6-11(14)3-2-10(9)7-13(16)5-4-12(15)8-13/h2-3,6,12,16H,4-5,7-8,15H2,1H3
InChIKeyNNTCMDAHNNZLEN-UHFFFAOYSA-N
MW223.29 g/mol
LogP1.92
Rot. Bonds2

About 3-amino-1-[(4-fluoro-2-methylphenyl)methyl]cyclopentan-1-ol

3-amino-1-[(4-fluoro-2-methylphenyl)methyl]cyclopentan-1-ol (PubChem CID 114346957) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 3-amino-1-[(4-fluoro-2-methylphenyl)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-amino-1-[(4-fluoro-2-methylphenyl)methyl]cyclopentan-1-ol
PubChem CID114346957
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name3-amino-1-[(4-fluoro-2-methylphenyl)methyl]cyclopentan-1-ol
SMILESCc1cc(F)ccc1CC1(O)CCC(N)C1
InChIInChI=1S/C13H18FNO/c1-9-6-11(14)3-2-10(9)7-13(16)5-4-12(15)8-13/h2-3,6,12,16H,4-5,7-8,15H2,1H3
InChIKeyNNTCMDAHNNZLEN-UHFFFAOYSA-N
XLogP1.92
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-fluoro-2-methylphenyl)methyl]-3-methylcyclopentan-1-ol
CID 114346880
3-amino-1-[(5-fluoro-2-methylphenyl)methyl]cyclobutan-1-ol
CID 105372944
3-amino-1-[(2-chloro-5-fluorophenyl)methyl]cyclohexan-1-ol
CID 102617388
1-[(2,4-difluorophenyl)methyl]-3-ethylcyclopentan-1-ol
CID 64513612
2-[(4-fluoro-2-methylphenyl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
CID 114346975
3-amino-1-[(2,5-dimethylphenyl)methyl]cyclohexan-1-ol
CID 80561179
1-[(4-fluoro-2-methylphenyl)methyl]-2-methylcyclohexan-1-ol
CID 114346704
1-[(2,4-difluorophenyl)methyl]-4-ethylcyclohexan-1-ol
CID 62197513
3-fluoro-3-[(5-fluoro-2-methylphenyl)methyl]cyclohexan-1-amine
CID 105376474
[1-[(4-fluoro-2-methylphenyl)methyl]-3-methylcyclopentyl]methanamine
CID 114349747
[1-[(4-fluoro-2-methylphenyl)methyl]-4,4-dimethylcyclohexyl]methanamine
CID 114349742
3-amino-1-[(2-chloro-5-fluorophenyl)methyl]cyclobutan-1-ol
CID 102617389

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(4-fluoro-2-methylphenyl)methyl]cyclopentan-1-ol?
The IUPAC name of 3-amino-1-[(4-fluoro-2-methylphenyl)methyl]cyclopentan-1-ol (CID 114346957) is 3-amino-1-[(4-fluoro-2-methylphenyl)methyl]cyclopentan-1-ol.
What is the SMILES notation for 3-amino-1-[(4-fluoro-2-methylphenyl)methyl]cyclopentan-1-ol?
The canonical SMILES for 3-amino-1-[(4-fluoro-2-methylphenyl)methyl]cyclopentan-1-ol is Cc1cc(F)ccc1CC1(O)CCC(N)C1.
What is the InChIKey of 3-amino-1-[(4-fluoro-2-methylphenyl)methyl]cyclopentan-1-ol?
The InChIKey is NNTCMDAHNNZLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-9-6-11(14)3-2-10(9)7-13(16)5-4-12(15)8-13/h2-3,6,12,16H,4-5,7-8,15H2,1H3.
What are the key properties of 3-amino-1-[(4-fluoro-2-methylphenyl)methyl]cyclopentan-1-ol?
3-amino-1-[(4-fluoro-2-methylphenyl)methyl]cyclopentan-1-ol has a molecular weight of 223.29 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(4-fluoro-2-methylphenyl)methyl]cyclopentan-1-ol is sourced from PubChem (CID 114346957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).