[3-(1-hydroxycyclohexyl)-3-(4-methoxyphenyl)propyl]-methylazanium chloride

C17H28ClNO2 — CID 162517103

IUPAC[3-(1-hydroxycyclohexyl)-3-(4-methoxyphenyl)propyl]-methylazanium chloride
SMILESC[NH2+]CCC(c1ccc(OC)cc1)C1(O)CCCCC1.[Cl-]
InChIInChI=1S/C17H27NO2.ClH/c1-18-13-10-16(17(19)11-4-3-5-12-17)14-6-8-15(20-2)9-7-14;/h6-9,16,18-19H,3-5,10-13H2,1-2H3;1H
InChIKeyHRMJJQWYIYHTDY-UHFFFAOYSA-N
MW313.87 g/mol
LogP-0.94
Rot. Bonds6

About [3-(1-hydroxycyclohexyl)-3-(4-methoxyphenyl)propyl]-methylazanium chloride

[3-(1-hydroxycyclohexyl)-3-(4-methoxyphenyl)propyl]-methylazanium chloride (PubChem CID 162517103) has the molecular formula C17H28ClNO2 and a molecular weight of 313.87 g/mol. Its IUPAC name is [3-(1-hydroxycyclohexyl)-3-(4-methoxyphenyl)propyl]-methylazanium chloride.

Molecular Properties

Compound Name[3-(1-hydroxycyclohexyl)-3-(4-methoxyphenyl)propyl]-methylazanium chloride
PubChem CID162517103
Molecular FormulaC17H28ClNO2
Molecular Weight313.87 g/mol
Exact Mass313.18
IUPAC Name[3-(1-hydroxycyclohexyl)-3-(4-methoxyphenyl)propyl]-methylazanium chloride
SMILESC[NH2+]CCC(c1ccc(OC)cc1)C1(O)CCCCC1.[Cl-]
InChIInChI=1S/C17H27NO2.ClH/c1-18-13-10-16(17(19)11-4-3-5-12-17)14-6-8-15(20-2)9-7-14;/h6-9,16,18-19H,3-5,10-13H2,1-2H3;1H
InChIKeyHRMJJQWYIYHTDY-UHFFFAOYSA-N
XLogP-0.94
TPSA46.07 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.87
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [3-(1-hydroxycyclohexyl)-3-(4-methoxyphenyl)propyl]-methylazanium chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol);hydrochloride
CID 68818348
1-[2-dimethylarsanyl-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol;hydrochloride
CID 87689305
[(2S)-2-(1-hydroxycyclohexyl)-2-(4-methoxyphenyl)ethyl]-bis(trideuteriomethyl)azanium
CID 59807272
1-[1-(4-methoxyphenyl)-4-piperazin-1-ylbutyl]cyclohexan-1-ol
CID 21241517
1-[1-(4-methoxyphenyl)-2-[methyl(trideuteriomethyl)amino]ethyl]cyclohexan-1-ol
CID 59838669
4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol;4-[1-(1-hydroxycyclohexyl)butyl]phenol;1-[1-(4-methoxyphenyl)butyl]cyclohexan-1-ol
CID 159437674
4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol;methane
CID 158593799
1-[4-(4-benzylpiperazin-1-yl)-1-(4-methoxyphenyl)butyl]cyclohexan-1-ol
CID 21241505
1-[(1R)-2-(dimethylamino)-1-[4-(trideuteriomethoxy)phenyl]ethyl]cyclohexan-1-ol
CID 25225533
1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 11202205
1-[2-amino-2-(4-methoxyphenyl)ethyl]cyclohexan-1-ol
CID 57165649
2-(1-methoxycyclohexyl)-2-(4-methoxyphenyl)ethanamine
CID 118042370

Frequently Asked Questions

What is the IUPAC name of [3-(1-hydroxycyclohexyl)-3-(4-methoxyphenyl)propyl]-methylazanium chloride?
The IUPAC name of [3-(1-hydroxycyclohexyl)-3-(4-methoxyphenyl)propyl]-methylazanium chloride (CID 162517103) is [3-(1-hydroxycyclohexyl)-3-(4-methoxyphenyl)propyl]-methylazanium chloride.
What is the SMILES notation for [3-(1-hydroxycyclohexyl)-3-(4-methoxyphenyl)propyl]-methylazanium chloride?
The canonical SMILES for [3-(1-hydroxycyclohexyl)-3-(4-methoxyphenyl)propyl]-methylazanium chloride is C[NH2+]CCC(c1ccc(OC)cc1)C1(O)CCCCC1.[Cl-].
What is the InChIKey of [3-(1-hydroxycyclohexyl)-3-(4-methoxyphenyl)propyl]-methylazanium chloride?
The InChIKey is HRMJJQWYIYHTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2.ClH/c1-18-13-10-16(17(19)11-4-3-5-12-17)14-6-8-15(20-2)9-7-14;/h6-9,16,18-19H,3-5,10-13H2,1-2H3;1H.
What are the key properties of [3-(1-hydroxycyclohexyl)-3-(4-methoxyphenyl)propyl]-methylazanium chloride?
[3-(1-hydroxycyclohexyl)-3-(4-methoxyphenyl)propyl]-methylazanium chloride has a molecular weight of 313.87 g/mol, XLogP of -0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-hydroxycyclohexyl)-3-(4-methoxyphenyl)propyl]-methylazanium chloride is sourced from PubChem (CID 162517103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).