[1-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]cyclopentyl]methanol

C15H22ClNO2 — CID 115358964

IUPAC[1-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]cyclopentyl]methanol
SMILESCOc1ccc(Cl)cc1CNCC1(CO)CCCC1
InChIInChI=1S/C15H22ClNO2/c1-19-14-5-4-13(16)8-12(14)9-17-10-15(11-18)6-2-3-7-15/h4-5,8,17-18H,2-3,6-7,9-11H2,1H3
InChIKeyGRMMOVCCYIVMRR-UHFFFAOYSA-N
MW283.80 g/mol
LogP2.99
Rot. Bonds6

About [1-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]cyclopentyl]methanol

[1-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]cyclopentyl]methanol (PubChem CID 115358964) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is [1-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]cyclopentyl]methanol
PubChem CID115358964
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name[1-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]cyclopentyl]methanol
SMILESCOc1ccc(Cl)cc1CNCC1(CO)CCCC1
InChIInChI=1S/C15H22ClNO2/c1-19-14-5-4-13(16)8-12(14)9-17-10-15(11-18)6-2-3-7-15/h4-5,8,17-18H,2-3,6-7,9-11H2,1H3
InChIKeyGRMMOVCCYIVMRR-UHFFFAOYSA-N
XLogP2.99
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [1-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]cyclopentyl]methanol with MolForge

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-N-[[1-(chloromethyl)cyclopentyl]methyl]methanamine
CID 113294642
[1-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclohexyl]methanol
CID 115683825
[1-[[(2-methoxyphenyl)methylamino]methyl]cyclopentyl]methanol
CID 115358929
1-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]cyclopropane-1-carboxylic acid
CID 115242903
[1-[[(3,4-dimethoxyphenyl)methylamino]methyl]cyclopentyl]methanol
CID 115358427
N-[[1-[(5-chloro-2-methoxyphenyl)methyl]cyclobutyl]methyl]propan-1-amine
CID 65194491
1-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]cyclopropane-1-carbonitrile
CID 115242214
[1-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]cyclopropyl]methanol
CID 79479405
N-[[1-[(5-chloro-2-methoxyphenyl)methyl]cyclobutyl]methyl]-2-methoxyethanamine
CID 65196229
1-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]-4-ethylcyclohexan-1-ol
CID 65116363
[1-[[[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]methylamino]methyl]cyclopropyl]methanol
CID 111579334
2-[(5-chloro-2-methoxyphenyl)methylamino]acetaldehyde
CID 115222884

Frequently Asked Questions

What is the IUPAC name of [1-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]cyclopentyl]methanol?
The IUPAC name of [1-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]cyclopentyl]methanol (CID 115358964) is [1-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]cyclopentyl]methanol.
What is the SMILES notation for [1-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]cyclopentyl]methanol?
The canonical SMILES for [1-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]cyclopentyl]methanol is COc1ccc(Cl)cc1CNCC1(CO)CCCC1.
What is the InChIKey of [1-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]cyclopentyl]methanol?
The InChIKey is GRMMOVCCYIVMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-19-14-5-4-13(16)8-12(14)9-17-10-15(11-18)6-2-3-7-15/h4-5,8,17-18H,2-3,6-7,9-11H2,1H3.
What are the key properties of [1-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]cyclopentyl]methanol?
[1-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]cyclopentyl]methanol has a molecular weight of 283.80 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]cyclopentyl]methanol is sourced from PubChem (CID 115358964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).