[1-[(3,5-dichloro-2-methoxyphenyl)methylamino]cyclopentyl]methanol

C14H19Cl2NO2 — CID 75494808

IUPAC[1-[(3,5-dichloro-2-methoxyphenyl)methylamino]cyclopentyl]methanol
SMILESCOc1c(Cl)cc(Cl)cc1CNC1(CO)CCCC1
InChIInChI=1S/C14H19Cl2NO2/c1-19-13-10(6-11(15)7-12(13)16)8-17-14(9-18)4-2-3-5-14/h6-7,17-18H,2-5,8-9H2,1H3
InChIKeyFDBXSSDVSUZMAJ-UHFFFAOYSA-N
MW304.22 g/mol
LogP3.40
Rot. Bonds5

About [1-[(3,5-dichloro-2-methoxyphenyl)methylamino]cyclopentyl]methanol

[1-[(3,5-dichloro-2-methoxyphenyl)methylamino]cyclopentyl]methanol (PubChem CID 75494808) has the molecular formula C14H19Cl2NO2 and a molecular weight of 304.22 g/mol. Its IUPAC name is [1-[(3,5-dichloro-2-methoxyphenyl)methylamino]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[(3,5-dichloro-2-methoxyphenyl)methylamino]cyclopentyl]methanol
PubChem CID75494808
Molecular FormulaC14H19Cl2NO2
Molecular Weight304.22 g/mol
Exact Mass303.08
IUPAC Name[1-[(3,5-dichloro-2-methoxyphenyl)methylamino]cyclopentyl]methanol
SMILESCOc1c(Cl)cc(Cl)cc1CNC1(CO)CCCC1
InChIInChI=1S/C14H19Cl2NO2/c1-19-13-10(6-11(15)7-12(13)16)8-17-14(9-18)4-2-3-5-14/h6-7,17-18H,2-5,8-9H2,1H3
InChIKeyFDBXSSDVSUZMAJ-UHFFFAOYSA-N
XLogP3.40
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.22
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dichloro-2-methoxyphenyl)-N-methoxymethanamine
CID 117344115
2-[2-[(3,5-dichloro-2-methoxyphenyl)methylamino]ethylamino]ethanol;hydrochloride
CID 11957133
N-[(3,5-dichloro-2-methoxyphenyl)methyl]cyclobutanamine
CID 82500447
[1-[(2,3,4-trimethoxyphenyl)methylamino]cyclobutyl]methanol
CID 115733194
N-[(3,5-dichloro-2-methoxyphenyl)methyl]-2-methylpropan-2-amine;hydrochloride
CID 17290026
[1-[(4-bromo-2-chlorophenyl)methylamino]cyclopentyl]methanol
CID 115683768
4-chloro-2-[[[1-(hydroxymethyl)cyclobutyl]amino]methyl]phenol
CID 115733344
methyl N-[(3,5-dichloro-2-methoxyphenyl)methyl]carbamate
CID 110782986
[1-[(5-chloro-2-methoxyphenyl)methylamino]-4-methylcyclohexyl]methanol
CID 62552157
N-[(3,5-dichloro-2-methoxyphenyl)methyl]carbamoyl bromide
CID 115193602
N-[(3,5-dichloro-2-methoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride
CID 17294438
N-[(3,5-dichloro-2-methoxyphenyl)methyl]cyclobutanecarboxamide
CID 110782988

Frequently Asked Questions

What is the IUPAC name of [1-[(3,5-dichloro-2-methoxyphenyl)methylamino]cyclopentyl]methanol?
The IUPAC name of [1-[(3,5-dichloro-2-methoxyphenyl)methylamino]cyclopentyl]methanol (CID 75494808) is [1-[(3,5-dichloro-2-methoxyphenyl)methylamino]cyclopentyl]methanol.
What is the SMILES notation for [1-[(3,5-dichloro-2-methoxyphenyl)methylamino]cyclopentyl]methanol?
The canonical SMILES for [1-[(3,5-dichloro-2-methoxyphenyl)methylamino]cyclopentyl]methanol is COc1c(Cl)cc(Cl)cc1CNC1(CO)CCCC1.
What is the InChIKey of [1-[(3,5-dichloro-2-methoxyphenyl)methylamino]cyclopentyl]methanol?
The InChIKey is FDBXSSDVSUZMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO2/c1-19-13-10(6-11(15)7-12(13)16)8-17-14(9-18)4-2-3-5-14/h6-7,17-18H,2-5,8-9H2,1H3.
What are the key properties of [1-[(3,5-dichloro-2-methoxyphenyl)methylamino]cyclopentyl]methanol?
[1-[(3,5-dichloro-2-methoxyphenyl)methylamino]cyclopentyl]methanol has a molecular weight of 304.22 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3,5-dichloro-2-methoxyphenyl)methylamino]cyclopentyl]methanol is sourced from PubChem (CID 75494808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).