1-[(4-fluoro-3-methylanilino)methyl]cyclopentan-1-ol

C13H18FNO — CID 65210645

IUPAC1-[(4-fluoro-3-methylanilino)methyl]cyclopentan-1-ol
SMILESCc1cc(NCC2(O)CCCC2)ccc1F
InChIInChI=1S/C13H18FNO/c1-10-8-11(4-5-12(10)14)15-9-13(16)6-2-3-7-13/h4-5,8,15-16H,2-3,6-7,9H2,1H3
InChIKeyWQJFNUFXUUSEFI-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.85
Rot. Bonds3

About 1-[(4-fluoro-3-methylanilino)methyl]cyclopentan-1-ol

1-[(4-fluoro-3-methylanilino)methyl]cyclopentan-1-ol (PubChem CID 65210645) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 1-[(4-fluoro-3-methylanilino)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[(4-fluoro-3-methylanilino)methyl]cyclopentan-1-ol
PubChem CID65210645
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name1-[(4-fluoro-3-methylanilino)methyl]cyclopentan-1-ol
SMILESCc1cc(NCC2(O)CCCC2)ccc1F
InChIInChI=1S/C13H18FNO/c1-10-8-11(4-5-12(10)14)15-9-13(16)6-2-3-7-13/h4-5,8,15-16H,2-3,6-7,9H2,1H3
InChIKeyWQJFNUFXUUSEFI-UHFFFAOYSA-N
XLogP2.85
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-amino-4-methylanilino)methyl]cyclopentan-1-ol
CID 65103274
1-[(3-methylanilino)methyl]cyclopentan-1-ol
CID 65210676
1-[[(4-fluoro-3-methylphenyl)methylamino]methyl]cyclobutan-1-ol
CID 111114623
1-[(3-methylsulfanylanilino)methyl]cyclopentan-1-ol
CID 65210779
1-[(3,4-dimethoxyanilino)methyl]cyclopentan-1-ol
CID 65211407
1-[(3,5-difluoroanilino)methyl]cyclohexan-1-ol
CID 60900892
1-[(4-methylsulfanylanilino)methyl]cyclohexan-1-ol
CID 60899212
1-[(3-chloroanilino)methyl]cyclobutan-1-ol
CID 131701731
methyl 3-[(4-fluoro-3-methylanilino)methyl]oxetane-3-carboxylate
CID 115248582
N-(bromomethyl)-4-fluoro-3-methylaniline
CID 115261522
1-[[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]methyl]cyclohexan-1-ol
CID 60896395
4-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-2-methylbenzonitrile
CID 81279642

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluoro-3-methylanilino)methyl]cyclopentan-1-ol?
The IUPAC name of 1-[(4-fluoro-3-methylanilino)methyl]cyclopentan-1-ol (CID 65210645) is 1-[(4-fluoro-3-methylanilino)methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[(4-fluoro-3-methylanilino)methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[(4-fluoro-3-methylanilino)methyl]cyclopentan-1-ol is Cc1cc(NCC2(O)CCCC2)ccc1F.
What is the InChIKey of 1-[(4-fluoro-3-methylanilino)methyl]cyclopentan-1-ol?
The InChIKey is WQJFNUFXUUSEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-10-8-11(4-5-12(10)14)15-9-13(16)6-2-3-7-13/h4-5,8,15-16H,2-3,6-7,9H2,1H3.
What are the key properties of 1-[(4-fluoro-3-methylanilino)methyl]cyclopentan-1-ol?
1-[(4-fluoro-3-methylanilino)methyl]cyclopentan-1-ol has a molecular weight of 223.29 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluoro-3-methylanilino)methyl]cyclopentan-1-ol is sourced from PubChem (CID 65210645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).