2-(cyclohexylamino)-1-(3,4-dimethoxyphenyl)-2-methylpropan-1-ol

C18H29NO3 — CID 10518826

IUPAC2-(cyclohexylamino)-1-(3,4-dimethoxyphenyl)-2-methylpropan-1-ol
SMILESCOc1ccc(C(O)C(C)(C)NC2CCCCC2)cc1OC
InChIInChI=1S/C18H29NO3/c1-18(2,19-14-8-6-5-7-9-14)17(20)13-10-11-15(21-3)16(12-13)22-4/h10-12,14,17,19-20H,5-9H2,1-4H3
InChIKeySZZFCMYGQVRTGU-UHFFFAOYSA-N
MW307.43 g/mol
LogP3.44
Rot. Bonds6

About 2-(cyclohexylamino)-1-(3,4-dimethoxyphenyl)-2-methylpropan-1-ol

2-(cyclohexylamino)-1-(3,4-dimethoxyphenyl)-2-methylpropan-1-ol (PubChem CID 10518826) has the molecular formula C18H29NO3 and a molecular weight of 307.43 g/mol. Its IUPAC name is 2-(cyclohexylamino)-1-(3,4-dimethoxyphenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(cyclohexylamino)-1-(3,4-dimethoxyphenyl)-2-methylpropan-1-ol
PubChem CID10518826
Molecular FormulaC18H29NO3
Molecular Weight307.43 g/mol
Exact Mass307.21
IUPAC Name2-(cyclohexylamino)-1-(3,4-dimethoxyphenyl)-2-methylpropan-1-ol
SMILESCOc1ccc(C(O)C(C)(C)NC2CCCCC2)cc1OC
InChIInChI=1S/C18H29NO3/c1-18(2,19-14-8-6-5-7-9-14)17(20)13-10-11-15(21-3)16(12-13)22-4/h10-12,14,17,19-20H,5-9H2,1-4H3
InChIKeySZZFCMYGQVRTGU-UHFFFAOYSA-N
XLogP3.44
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)propan-1-ol
CID 82314361
(1R,2S)-2-amino-1-cyclohexyl-2-(3,4-dimethoxyphenyl)ethanol;hydrochloride
CID 171162193
4-[2-[cyclopentylsulfamoyl(methyl)amino]-1-hydroxyethyl]-1,2-dimethoxybenzene
CID 110629765
N-[cycloheptyl-(3,4-dimethoxyphenyl)methyl]ethanamine
CID 62587576
3-(3,4-dimethoxyphenyl)-3-hydroxy-2,2-dimethylpropanoic acid
CID 62398262
2-(cyclohexylamino)-2-(2-methoxy-5-methylphenyl)propanamide
CID 60998168
N-cyclopentyl-2-[4-(1-hydroxyethyl)-2-methoxyphenoxy]acetamide
CID 43416744
2-cyclohexyl-2-(3,4-dimethoxyphenyl)-N-ethylethanamine
CID 82924006
1,2-bis(3,4-dimethoxyphenyl)ethane-1,2-diol
CID 11461770
4-[bromo(cyclobutyl)methyl]-1,2-dimethoxybenzene
CID 61085730
1-(3,4-dimethoxyphenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 116954007
1-(4-cyclopentyloxy-3-methoxyphenyl)ethanol
CID 43503851

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-1-(3,4-dimethoxyphenyl)-2-methylpropan-1-ol?
The IUPAC name of 2-(cyclohexylamino)-1-(3,4-dimethoxyphenyl)-2-methylpropan-1-ol (CID 10518826) is 2-(cyclohexylamino)-1-(3,4-dimethoxyphenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(cyclohexylamino)-1-(3,4-dimethoxyphenyl)-2-methylpropan-1-ol?
The canonical SMILES for 2-(cyclohexylamino)-1-(3,4-dimethoxyphenyl)-2-methylpropan-1-ol is COc1ccc(C(O)C(C)(C)NC2CCCCC2)cc1OC.
What is the InChIKey of 2-(cyclohexylamino)-1-(3,4-dimethoxyphenyl)-2-methylpropan-1-ol?
The InChIKey is SZZFCMYGQVRTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO3/c1-18(2,19-14-8-6-5-7-9-14)17(20)13-10-11-15(21-3)16(12-13)22-4/h10-12,14,17,19-20H,5-9H2,1-4H3.
What are the key properties of 2-(cyclohexylamino)-1-(3,4-dimethoxyphenyl)-2-methylpropan-1-ol?
2-(cyclohexylamino)-1-(3,4-dimethoxyphenyl)-2-methylpropan-1-ol has a molecular weight of 307.43 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-1-(3,4-dimethoxyphenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 10518826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).