[4-[cyclopentyl(methyl)amino]-3-fluorophenyl]methanol

C13H18FNO — CID 43267339

IUPAC[4-[cyclopentyl(methyl)amino]-3-fluorophenyl]methanol
SMILESCN(c1ccc(CO)cc1F)C1CCCC1
InChIInChI=1S/C13H18FNO/c1-15(11-4-2-3-5-11)13-7-6-10(9-16)8-12(13)14/h6-8,11,16H,2-5,9H2,1H3
InChIKeyYAFYYYOJNHCGOZ-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.70
Rot. Bonds3

About [4-[cyclopentyl(methyl)amino]-3-fluorophenyl]methanol

[4-[cyclopentyl(methyl)amino]-3-fluorophenyl]methanol (PubChem CID 43267339) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is [4-[cyclopentyl(methyl)amino]-3-fluorophenyl]methanol.

Molecular Properties

Compound Name[4-[cyclopentyl(methyl)amino]-3-fluorophenyl]methanol
PubChem CID43267339
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name[4-[cyclopentyl(methyl)amino]-3-fluorophenyl]methanol
SMILESCN(c1ccc(CO)cc1F)C1CCCC1
InChIInChI=1S/C13H18FNO/c1-15(11-4-2-3-5-11)13-7-6-10(9-16)8-12(13)14/h6-8,11,16H,2-5,9H2,1H3
InChIKeyYAFYYYOJNHCGOZ-UHFFFAOYSA-N
XLogP2.70
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(ethylaminomethyl)-2-fluorophenyl]-N-methylcycloheptanamine
CID 43614292
N-cyclopentyl-2-fluoro-N-methyl-4-[(propan-2-ylamino)methyl]aniline
CID 43281747
4-(bromomethyl)-N-cyclopropyl-2-fluoro-N-methylaniline
CID 107079857
N-cyclopentyl-2-fluoro-4-[(2-methoxyethylamino)methyl]-N-methylaniline
CID 63061084
[4-[cyclopropylmethyl(methyl)amino]-3-fluorophenyl]methanol
CID 60984491
N-cycloheptyl-2-fluoro-4-(hydroxymethyl)-N-methylbenzenesulfonamide
CID 79178549
4-(bromomethyl)-N-(4-ethylcyclohexyl)-2-fluoro-N-methylaniline
CID 107081550
[3-chloro-4-[methyl-(3-methylcyclohexyl)amino]phenyl]methanol
CID 81151401
N-cyclopentyl-4-[1-(ethylamino)ethyl]-2-fluoro-N-methylaniline
CID 43284607
N-[2-fluoro-4-[(propan-2-ylamino)methyl]phenyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 43648979
N-[4-(2-aminopropyl)-2-fluorophenyl]-N,1-dimethylpiperidin-3-amine
CID 63793431
[3-fluoro-4-[methyl(propyl)amino]phenyl]methanol
CID 43271461

Frequently Asked Questions

What is the IUPAC name of [4-[cyclopentyl(methyl)amino]-3-fluorophenyl]methanol?
The IUPAC name of [4-[cyclopentyl(methyl)amino]-3-fluorophenyl]methanol (CID 43267339) is [4-[cyclopentyl(methyl)amino]-3-fluorophenyl]methanol.
What is the SMILES notation for [4-[cyclopentyl(methyl)amino]-3-fluorophenyl]methanol?
The canonical SMILES for [4-[cyclopentyl(methyl)amino]-3-fluorophenyl]methanol is CN(c1ccc(CO)cc1F)C1CCCC1.
What is the InChIKey of [4-[cyclopentyl(methyl)amino]-3-fluorophenyl]methanol?
The InChIKey is YAFYYYOJNHCGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-15(11-4-2-3-5-11)13-7-6-10(9-16)8-12(13)14/h6-8,11,16H,2-5,9H2,1H3.
What are the key properties of [4-[cyclopentyl(methyl)amino]-3-fluorophenyl]methanol?
[4-[cyclopentyl(methyl)amino]-3-fluorophenyl]methanol has a molecular weight of 223.29 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[cyclopentyl(methyl)amino]-3-fluorophenyl]methanol is sourced from PubChem (CID 43267339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).