[(1R,2R)-2-[1-[(3-chloro-2-fluorophenyl)methylamino]ethenyl]cyclopentyl]methanol

C15H19ClFNO — CID 156569804

IUPAC[(1R,2R)-2-[1-[(3-chloro-2-fluorophenyl)methylamino]ethenyl]cyclopentyl]methanol
SMILESC=C(NCc1cccc(Cl)c1F)[C@@H]1CCC[C@H]1CO
InChIInChI=1S/C15H19ClFNO/c1-10(13-6-2-5-12(13)9-19)18-8-11-4-3-7-14(16)15(11)17/h3-4,7,12-13,18-19H,1-2,5-6,8-9H2/t12-,13-/m0/s1
InChIKeyIAORDTBWENAXBI-STQMWFEESA-N
MW283.77 g/mol
LogP3.49
Rot. Bonds5

About [(1R,2R)-2-[1-[(3-chloro-2-fluorophenyl)methylamino]ethenyl]cyclopentyl]methanol

[(1R,2R)-2-[1-[(3-chloro-2-fluorophenyl)methylamino]ethenyl]cyclopentyl]methanol (PubChem CID 156569804) has the molecular formula C15H19ClFNO and a molecular weight of 283.77 g/mol. Its IUPAC name is [(1R,2R)-2-[1-[(3-chloro-2-fluorophenyl)methylamino]ethenyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[(1R,2R)-2-[1-[(3-chloro-2-fluorophenyl)methylamino]ethenyl]cyclopentyl]methanol
PubChem CID156569804
Molecular FormulaC15H19ClFNO
Molecular Weight283.77 g/mol
Exact Mass283.11
IUPAC Name[(1R,2R)-2-[1-[(3-chloro-2-fluorophenyl)methylamino]ethenyl]cyclopentyl]methanol
SMILESC=C(NCc1cccc(Cl)c1F)[C@@H]1CCC[C@H]1CO
InChIInChI=1S/C15H19ClFNO/c1-10(13-6-2-5-12(13)9-19)18-8-11-4-3-7-14(16)15(11)17/h3-4,7,12-13,18-19H,1-2,5-6,8-9H2/t12-,13-/m0/s1
InChIKeyIAORDTBWENAXBI-STQMWFEESA-N
XLogP3.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.77
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2R)-2-amino-N-[(3-chloro-2-fluorophenyl)methyl]cyclopentane-1-carboxamide
CID 139576412
N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclobutylmethylamino)acetamide
CID 130299685
N-[(3-chloro-2-fluorophenyl)methyl]cycloheptanamine
CID 79033184
N-[(2-chlorophenyl)methyl]-1-cyclopropylethenamine
CID 171097079
N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclopentylamino)acetamide
CID 130300052
N-[(3-chloro-2-fluorophenyl)methyl]-2-[cyclobutyl(formyl)amino]acetamide
CID 166957676
[2-[[(2-chloro-3-fluorophenyl)methylamino]methyl]cyclopentyl]methanol
CID 112652136
tert-butyl N-[(1R,2R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]cyclopentyl]carbamate
CID 139576411
4-[(3-chloro-2-fluorophenyl)methylamino]cyclohexane-1-carboxylic acid
CID 114489051
2-chloro-6-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]phenol
CID 113352464
2-(3-chloro-2-fluorophenyl)-1-(2-methylcyclopentyl)ethanone
CID 107187655
4-amino-N-[(3-chloro-2-fluorophenyl)methyl]-3-fluoropyrrolidine-2-carboxamide
CID 123841622

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-[1-[(3-chloro-2-fluorophenyl)methylamino]ethenyl]cyclopentyl]methanol?
The IUPAC name of [(1R,2R)-2-[1-[(3-chloro-2-fluorophenyl)methylamino]ethenyl]cyclopentyl]methanol (CID 156569804) is [(1R,2R)-2-[1-[(3-chloro-2-fluorophenyl)methylamino]ethenyl]cyclopentyl]methanol.
What is the SMILES notation for [(1R,2R)-2-[1-[(3-chloro-2-fluorophenyl)methylamino]ethenyl]cyclopentyl]methanol?
The canonical SMILES for [(1R,2R)-2-[1-[(3-chloro-2-fluorophenyl)methylamino]ethenyl]cyclopentyl]methanol is C=C(NCc1cccc(Cl)c1F)[C@@H]1CCC[C@H]1CO.
What is the InChIKey of [(1R,2R)-2-[1-[(3-chloro-2-fluorophenyl)methylamino]ethenyl]cyclopentyl]methanol?
The InChIKey is IAORDTBWENAXBI-STQMWFEESA-N. The full InChI is InChI=1S/C15H19ClFNO/c1-10(13-6-2-5-12(13)9-19)18-8-11-4-3-7-14(16)15(11)17/h3-4,7,12-13,18-19H,1-2,5-6,8-9H2/t12-,13-/m0/s1.
What are the key properties of [(1R,2R)-2-[1-[(3-chloro-2-fluorophenyl)methylamino]ethenyl]cyclopentyl]methanol?
[(1R,2R)-2-[1-[(3-chloro-2-fluorophenyl)methylamino]ethenyl]cyclopentyl]methanol has a molecular weight of 283.77 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-[1-[(3-chloro-2-fluorophenyl)methylamino]ethenyl]cyclopentyl]methanol is sourced from PubChem (CID 156569804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).