2-[(2,4-dimethoxyphenyl)methylamino]cyclohexan-1-ol

C15H23NO3 — CID 62365081

IUPAC2-[(2,4-dimethoxyphenyl)methylamino]cyclohexan-1-ol
SMILESCOc1ccc(CNC2CCCCC2O)c(OC)c1
InChIInChI=1S/C15H23NO3/c1-18-12-8-7-11(15(9-12)19-2)10-16-13-5-3-4-6-14(13)17/h7-9,13-14,16-17H,3-6,10H2,1-2H3
InChIKeyVADNYTMQJNGHCP-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.10
Rot. Bonds5

About 2-[(2,4-dimethoxyphenyl)methylamino]cyclohexan-1-ol

2-[(2,4-dimethoxyphenyl)methylamino]cyclohexan-1-ol (PubChem CID 62365081) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-[(2,4-dimethoxyphenyl)methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(2,4-dimethoxyphenyl)methylamino]cyclohexan-1-ol
PubChem CID62365081
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-[(2,4-dimethoxyphenyl)methylamino]cyclohexan-1-ol
SMILESCOc1ccc(CNC2CCCCC2O)c(OC)c1
InChIInChI=1S/C15H23NO3/c1-18-12-8-7-11(15(9-12)19-2)10-16-13-5-3-4-6-14(13)17/h7-9,13-14,16-17H,3-6,10H2,1-2H3
InChIKeyVADNYTMQJNGHCP-UHFFFAOYSA-N
XLogP2.10
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-2-methylcyclohexan-1-amine
CID 2852810
[2-[(2,4-dimethoxyphenyl)methylamino]cyclopentyl]methanol
CID 103700479
N-[(2,4-dimethoxyphenyl)methyl]-2,3-dimethylcyclohexan-1-amine
CID 43082086
N-[(2,4-dimethoxyphenyl)methyl]cyclododecanamine;hydrochloride
CID 21435442
2-[(2-methoxyphenyl)methylamino]cyclopentan-1-ol
CID 60713485
cis-(1R,2S)-2-[(4-methoxyphenyl)methylamino]cyclohexan-1-ol
CID 93317511
cis-(1S,2R)-2-[(4-methoxyphenyl)methylamino]cyclohexan-1-ol
CID 39345640
cis-(1R,2S)-2-[(2-chloro-3,4-dimethoxyphenyl)methylamino]cyclohexan-1-ol
CID 124555929
(2S,3S)-N-[(2,4-dimethoxyphenyl)methyl]-2-phenylpiperidin-3-amine
CID 54042536
trans-(1S,2S)-2-[(2,3-dimethoxyphenyl)methylamino]cyclohexan-1-ol
CID 94414022
N-cyclopentyloxy-1-(2,4-dimethoxyphenyl)methanamine
CID 83228718
2-[(2-fluoro-3-methoxyphenyl)methylamino]cyclohexan-1-ol
CID 104791760

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethoxyphenyl)methylamino]cyclohexan-1-ol?
The IUPAC name of 2-[(2,4-dimethoxyphenyl)methylamino]cyclohexan-1-ol (CID 62365081) is 2-[(2,4-dimethoxyphenyl)methylamino]cyclohexan-1-ol.
What is the SMILES notation for 2-[(2,4-dimethoxyphenyl)methylamino]cyclohexan-1-ol?
The canonical SMILES for 2-[(2,4-dimethoxyphenyl)methylamino]cyclohexan-1-ol is COc1ccc(CNC2CCCCC2O)c(OC)c1.
What is the InChIKey of 2-[(2,4-dimethoxyphenyl)methylamino]cyclohexan-1-ol?
The InChIKey is VADNYTMQJNGHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-18-12-8-7-11(15(9-12)19-2)10-16-13-5-3-4-6-14(13)17/h7-9,13-14,16-17H,3-6,10H2,1-2H3.
What are the key properties of 2-[(2,4-dimethoxyphenyl)methylamino]cyclohexan-1-ol?
2-[(2,4-dimethoxyphenyl)methylamino]cyclohexan-1-ol has a molecular weight of 265.35 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethoxyphenyl)methylamino]cyclohexan-1-ol is sourced from PubChem (CID 62365081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).