1-[2-[(2-chloro-4-fluorophenyl)methyl-methylamino]ethyl]cyclopentan-1-ol

C15H21ClFNO — CID 77090783

IUPAC1-[2-[(2-chloro-4-fluorophenyl)methyl-methylamino]ethyl]cyclopentan-1-ol
SMILESCN(CCC1(O)CCCC1)Cc1ccc(F)cc1Cl
InChIInChI=1S/C15H21ClFNO/c1-18(9-8-15(19)6-2-3-7-15)11-12-4-5-13(17)10-14(12)16/h4-5,10,19H,2-3,6-9,11H2,1H3
InChIKeyLSXLMOPDGGNWRX-UHFFFAOYSA-N
MW285.79 g/mol
LogP3.61
Rot. Bonds5

About 1-[2-[(2-chloro-4-fluorophenyl)methyl-methylamino]ethyl]cyclopentan-1-ol

1-[2-[(2-chloro-4-fluorophenyl)methyl-methylamino]ethyl]cyclopentan-1-ol (PubChem CID 77090783) has the molecular formula C15H21ClFNO and a molecular weight of 285.79 g/mol. Its IUPAC name is 1-[2-[(2-chloro-4-fluorophenyl)methyl-methylamino]ethyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[2-[(2-chloro-4-fluorophenyl)methyl-methylamino]ethyl]cyclopentan-1-ol
PubChem CID77090783
Molecular FormulaC15H21ClFNO
Molecular Weight285.79 g/mol
Exact Mass285.13
IUPAC Name1-[2-[(2-chloro-4-fluorophenyl)methyl-methylamino]ethyl]cyclopentan-1-ol
SMILESCN(CCC1(O)CCCC1)Cc1ccc(F)cc1Cl
InChIInChI=1S/C15H21ClFNO/c1-18(9-8-15(19)6-2-3-7-15)11-12-4-5-13(17)10-14(12)16/h4-5,10,19H,2-3,6-9,11H2,1H3
InChIKeyLSXLMOPDGGNWRX-UHFFFAOYSA-N
XLogP3.61
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.79
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-chloro-4-fluorophenyl)methyl-methylamino]butan-2-ol
CID 115665893
1-amino-N-[(2-chloro-4-fluorophenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 86779775
N'-[(2-chloro-4-fluorophenyl)methyl]-N'-methyl-N-propan-2-ylethane-1,2-diamine
CID 55002463
5-bromo-N-[(2-chloro-4-fluorophenyl)methyl]-N-methylpentan-1-amine
CID 107204812
N,N'-bis[(2-chloro-4-fluorophenyl)methyl]-N,N'-dimethyloxamide
CID 166179956
1-[(2-chloro-4-fluorophenyl)methyl]-2,2-dimethylcyclohexan-1-ol
CID 79853110
5-fluoro-2-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]benzenecarbothioamide
CID 114949509
2-[(2-chloro-4-fluorophenyl)methyl-methylamino]-N'-hydroxyethanimidamide
CID 76928893
N-(2-chloroethyl)-N-[(2-chloro-4-fluorophenyl)methyl]cyclopropanamine
CID 63387646
3-[(2-chloro-4-fluorophenyl)methyl]-1,1-dioxothiolan-3-ol
CID 65145455
1-(1,3-benzodioxol-5-yl)-N-[(2-chloro-4-fluorophenyl)methyl]-N-methylmethanamine
CID 47010663
2-(2-chloro-4-fluorophenyl)-N,N-dimethylacetamide
CID 126789693

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-chloro-4-fluorophenyl)methyl-methylamino]ethyl]cyclopentan-1-ol?
The IUPAC name of 1-[2-[(2-chloro-4-fluorophenyl)methyl-methylamino]ethyl]cyclopentan-1-ol (CID 77090783) is 1-[2-[(2-chloro-4-fluorophenyl)methyl-methylamino]ethyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[2-[(2-chloro-4-fluorophenyl)methyl-methylamino]ethyl]cyclopentan-1-ol?
The canonical SMILES for 1-[2-[(2-chloro-4-fluorophenyl)methyl-methylamino]ethyl]cyclopentan-1-ol is CN(CCC1(O)CCCC1)Cc1ccc(F)cc1Cl.
What is the InChIKey of 1-[2-[(2-chloro-4-fluorophenyl)methyl-methylamino]ethyl]cyclopentan-1-ol?
The InChIKey is LSXLMOPDGGNWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFNO/c1-18(9-8-15(19)6-2-3-7-15)11-12-4-5-13(17)10-14(12)16/h4-5,10,19H,2-3,6-9,11H2,1H3.
What are the key properties of 1-[2-[(2-chloro-4-fluorophenyl)methyl-methylamino]ethyl]cyclopentan-1-ol?
1-[2-[(2-chloro-4-fluorophenyl)methyl-methylamino]ethyl]cyclopentan-1-ol has a molecular weight of 285.79 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-chloro-4-fluorophenyl)methyl-methylamino]ethyl]cyclopentan-1-ol is sourced from PubChem (CID 77090783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).