1-[[2-chloro-4-[(1R)-1-hydroxyethyl]-N-methylanilino]methyl]cyclopentan-1-ol

C15H22ClNO2 — CID 104985486

IUPAC1-[[2-chloro-4-[(1R)-1-hydroxyethyl]-N-methylanilino]methyl]cyclopentan-1-ol
SMILESC[C@@H](O)c1ccc(N(C)CC2(O)CCCC2)c(Cl)c1
InChIInChI=1S/C15H22ClNO2/c1-11(18)12-5-6-14(13(16)9-12)17(2)10-15(19)7-3-4-8-15/h5-6,9,11,18-19H,3-4,7-8,10H2,1-2H3/t11-/m1/s1
InChIKeyKKYYOQPJXMCLNC-LLVKDONJSA-N
MW283.80 g/mol
LogP3.13
Rot. Bonds4

About 1-[[2-chloro-4-[(1R)-1-hydroxyethyl]-N-methylanilino]methyl]cyclopentan-1-ol

1-[[2-chloro-4-[(1R)-1-hydroxyethyl]-N-methylanilino]methyl]cyclopentan-1-ol (PubChem CID 104985486) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is 1-[[2-chloro-4-[(1R)-1-hydroxyethyl]-N-methylanilino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[2-chloro-4-[(1R)-1-hydroxyethyl]-N-methylanilino]methyl]cyclopentan-1-ol
PubChem CID104985486
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name1-[[2-chloro-4-[(1R)-1-hydroxyethyl]-N-methylanilino]methyl]cyclopentan-1-ol
SMILESC[C@@H](O)c1ccc(N(C)CC2(O)CCCC2)c(Cl)c1
InChIInChI=1S/C15H22ClNO2/c1-11(18)12-5-6-14(13(16)9-12)17(2)10-15(19)7-3-4-8-15/h5-6,9,11,18-19H,3-4,7-8,10H2,1-2H3/t11-/m1/s1
InChIKeyKKYYOQPJXMCLNC-LLVKDONJSA-N
XLogP3.13
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-chloro-4-[(1S)-1-hydroxyethyl]-N-methylanilino]methyl]oxan-4-ol
CID 104985516
1-[[4-[(1R)-1-aminoethyl]-2-chloro-N-methylanilino]methyl]cyclopentan-1-ol
CID 104985405
1-[[[5-[(1R)-1-hydroxyethyl]-2-pyridinyl]-methylamino]methyl]cyclopentan-1-ol
CID 104985489
1-[[3-chloro-4-(1-hydroxyethyl)-N-methylanilino]methyl]cyclopentan-1-ol
CID 114950286
1-[[(3-chloro-4-pyridinyl)-methylamino]methyl]cyclopentan-1-ol
CID 84595345
(1R)-1-[3-chloro-4-[2-methoxyethyl(methyl)amino]phenyl]ethanol
CID 63371408
(1S)-1-[3-chloro-4-[3-methoxypropyl(methyl)amino]phenyl]ethanol
CID 55184861
1-[[2-(aminomethyl)-4-chloro-N-methylanilino]methyl]cyclopentan-1-ol
CID 114947842
1-[3-chloro-4-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanol
CID 62909049
(1R)-1-[3-chloro-4-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanol
CID 63371054
(1R)-1-[3-chloro-4-[3,3-dimethylbutan-2-yl(methyl)amino]phenyl]ethanol
CID 63372657
5-chloro-2-[(1-hydroxycyclopentyl)methyl-methylamino]benzonitrile
CID 115868668

Frequently Asked Questions

What is the IUPAC name of 1-[[2-chloro-4-[(1R)-1-hydroxyethyl]-N-methylanilino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[2-chloro-4-[(1R)-1-hydroxyethyl]-N-methylanilino]methyl]cyclopentan-1-ol (CID 104985486) is 1-[[2-chloro-4-[(1R)-1-hydroxyethyl]-N-methylanilino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[2-chloro-4-[(1R)-1-hydroxyethyl]-N-methylanilino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[2-chloro-4-[(1R)-1-hydroxyethyl]-N-methylanilino]methyl]cyclopentan-1-ol is C[C@@H](O)c1ccc(N(C)CC2(O)CCCC2)c(Cl)c1.
What is the InChIKey of 1-[[2-chloro-4-[(1R)-1-hydroxyethyl]-N-methylanilino]methyl]cyclopentan-1-ol?
The InChIKey is KKYYOQPJXMCLNC-LLVKDONJSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-11(18)12-5-6-14(13(16)9-12)17(2)10-15(19)7-3-4-8-15/h5-6,9,11,18-19H,3-4,7-8,10H2,1-2H3/t11-/m1/s1.
What are the key properties of 1-[[2-chloro-4-[(1R)-1-hydroxyethyl]-N-methylanilino]methyl]cyclopentan-1-ol?
1-[[2-chloro-4-[(1R)-1-hydroxyethyl]-N-methylanilino]methyl]cyclopentan-1-ol has a molecular weight of 283.80 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-chloro-4-[(1R)-1-hydroxyethyl]-N-methylanilino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 104985486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).