[1-[(4-chloro-3-methoxyanilino)methyl]cyclohexyl]methanol

C15H22ClNO2 — CID 107620978

IUPAC[1-[(4-chloro-3-methoxyanilino)methyl]cyclohexyl]methanol
SMILESCOc1cc(NCC2(CO)CCCCC2)ccc1Cl
InChIInChI=1S/C15H22ClNO2/c1-19-14-9-12(5-6-13(14)16)17-10-15(11-18)7-3-2-4-8-15/h5-6,9,17-18H,2-4,7-8,10-11H2,1H3
InChIKeyRWVKTZHIJFFOCP-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.70
Rot. Bonds5

About [1-[(4-chloro-3-methoxyanilino)methyl]cyclohexyl]methanol

[1-[(4-chloro-3-methoxyanilino)methyl]cyclohexyl]methanol (PubChem CID 107620978) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is [1-[(4-chloro-3-methoxyanilino)methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(4-chloro-3-methoxyanilino)methyl]cyclohexyl]methanol
PubChem CID107620978
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name[1-[(4-chloro-3-methoxyanilino)methyl]cyclohexyl]methanol
SMILESCOc1cc(NCC2(CO)CCCCC2)ccc1Cl
InChIInChI=1S/C15H22ClNO2/c1-19-14-9-12(5-6-13(14)16)17-10-15(11-18)7-3-2-4-8-15/h5-6,9,17-18H,2-4,7-8,10-11H2,1H3
InChIKeyRWVKTZHIJFFOCP-UHFFFAOYSA-N
XLogP3.70
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(3-chloro-4-ethoxyanilino)methyl]cyclopropyl]methanol
CID 115243228
[1-[(4,5-dimethoxy-2-methylanilino)methyl]cyclohexyl]methanol
CID 81401104
[1-[(2,3-dihydro-1H-inden-5-ylamino)methyl]cyclohexyl]methanol
CID 81411087
[1-[(4-aminoanilino)methyl]cyclohexyl]methanol
CID 103965357
[1-[(4-iodoanilino)methyl]cyclohexyl]methanol
CID 81412401
[1-[(3-bromo-5-methoxyanilino)methyl]cyclohexyl]methanol
CID 82857380
[1-[[3-(dimethylamino)-4-methylanilino]methyl]cyclohexyl]methanol
CID 115377142
1-[(3,4-dimethoxyanilino)methyl]cyclopentan-1-ol
CID 65211407
[1-[(3-methylsulfanylanilino)methyl]cyclohexyl]methanol
CID 81410870
[4-[(4-chloro-3-methoxyanilino)methyl]phenyl]methanol
CID 107266036
N-[5-[[1-(hydroxymethyl)cyclohexyl]methylamino]-2-methylphenyl]acetamide
CID 81400351
[1-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]cyclopentyl]methanol
CID 115358964

Frequently Asked Questions

What is the IUPAC name of [1-[(4-chloro-3-methoxyanilino)methyl]cyclohexyl]methanol?
The IUPAC name of [1-[(4-chloro-3-methoxyanilino)methyl]cyclohexyl]methanol (CID 107620978) is [1-[(4-chloro-3-methoxyanilino)methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[(4-chloro-3-methoxyanilino)methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[(4-chloro-3-methoxyanilino)methyl]cyclohexyl]methanol is COc1cc(NCC2(CO)CCCCC2)ccc1Cl.
What is the InChIKey of [1-[(4-chloro-3-methoxyanilino)methyl]cyclohexyl]methanol?
The InChIKey is RWVKTZHIJFFOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-19-14-9-12(5-6-13(14)16)17-10-15(11-18)7-3-2-4-8-15/h5-6,9,17-18H,2-4,7-8,10-11H2,1H3.
What are the key properties of [1-[(4-chloro-3-methoxyanilino)methyl]cyclohexyl]methanol?
[1-[(4-chloro-3-methoxyanilino)methyl]cyclohexyl]methanol has a molecular weight of 283.80 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-chloro-3-methoxyanilino)methyl]cyclohexyl]methanol is sourced from PubChem (CID 107620978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).