1-[cyclohexyl(ethyl)amino]-3-(2,4-dimethylphenoxy)propan-2-ol chloride

C19H31ClNO2- — CID 21237610

IUPAC1-[cyclohexyl(ethyl)amino]-3-(2,4-dimethylphenoxy)propan-2-ol chloride
SMILESCCN(CC(O)COc1ccc(C)cc1C)C1CCCCC1.[Cl-]
InChIInChI=1S/C19H31NO2.ClH/c1-4-20(17-8-6-5-7-9-17)13-18(21)14-22-19-11-10-15(2)12-16(19)3;/h10-12,17-18,21H,4-9,13-14H2,1-3H3;1H/p-1
InChIKeyRDTNGDASHYGKSM-UHFFFAOYSA-M
MW340.92 g/mol
LogP0.70
Rot. Bonds7

About 1-[cyclohexyl(ethyl)amino]-3-(2,4-dimethylphenoxy)propan-2-ol chloride

1-[cyclohexyl(ethyl)amino]-3-(2,4-dimethylphenoxy)propan-2-ol chloride (PubChem CID 21237610) has the molecular formula C19H31ClNO2- and a molecular weight of 340.92 g/mol. Its IUPAC name is 1-[cyclohexyl(ethyl)amino]-3-(2,4-dimethylphenoxy)propan-2-ol chloride.

Molecular Properties

Compound Name1-[cyclohexyl(ethyl)amino]-3-(2,4-dimethylphenoxy)propan-2-ol chloride
PubChem CID21237610
Molecular FormulaC19H31ClNO2-
Molecular Weight340.92 g/mol
Exact Mass340.20
IUPAC Name1-[cyclohexyl(ethyl)amino]-3-(2,4-dimethylphenoxy)propan-2-ol chloride
SMILESCCN(CC(O)COc1ccc(C)cc1C)C1CCCCC1.[Cl-]
InChIInChI=1S/C19H31NO2.ClH/c1-4-20(17-8-6-5-7-9-17)13-18(21)14-22-19-11-10-15(2)12-16(19)3;/h10-12,17-18,21H,4-9,13-14H2,1-3H3;1H/p-1
InChIKeyRDTNGDASHYGKSM-UHFFFAOYSA-M
XLogP0.70
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.92
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[cyclohexyl(ethyl)amino]-3-(2,4-dimethylphenoxy)propan-2-ol 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

2-[cyclopentyl-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]amino]acetamide
CID 110902009
1-[cyclopropyl(oxolan-3-ylmethyl)amino]-3-(2,4-dimethylphenoxy)propan-2-ol
CID 110891658
2-[[cyclohexyl-[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]amino]methyl]phenol
CID 7872383
1-(2,4-dimethylphenoxy)-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol
CID 2770301
(2S)-1-(2,4-dimethylphenoxy)-3-[(2S,6S)-2,6-dimethylpiperidin-1-yl]propan-2-ol
CID 11863217
(2S)-1-(dicyclohexylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol
CID 35583289
N'-cyclohexyl-1-(2,4-dimethylphenyl)-N'-ethylethane-1,2-diamine
CID 43103531
1-cyclohexyl-2-(2,4-dimethylphenoxy)ethanamine
CID 104748372
1-[cyclohexyl(ethyl)amino]-3-[2,6-dibromo-4-[2-[3,5-dibromo-4-[3-[cyclohexyl(ethyl)amino]-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]propan-2-ol
CID 19132772
1-(2,4-dimethylphenoxy)-3-[2-hydroxypropyl(propan-2-yl)amino]propan-2-ol
CID 111107864
(2S)-1-[cyclopropyl-[(4-methylphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 93163790
1-bromo-3-(2,4-dimethylphenoxy)propan-2-ol
CID 112560473

Frequently Asked Questions

What is the IUPAC name of 1-[cyclohexyl(ethyl)amino]-3-(2,4-dimethylphenoxy)propan-2-ol chloride?
The IUPAC name of 1-[cyclohexyl(ethyl)amino]-3-(2,4-dimethylphenoxy)propan-2-ol chloride (CID 21237610) is 1-[cyclohexyl(ethyl)amino]-3-(2,4-dimethylphenoxy)propan-2-ol chloride.
What is the SMILES notation for 1-[cyclohexyl(ethyl)amino]-3-(2,4-dimethylphenoxy)propan-2-ol chloride?
The canonical SMILES for 1-[cyclohexyl(ethyl)amino]-3-(2,4-dimethylphenoxy)propan-2-ol chloride is CCN(CC(O)COc1ccc(C)cc1C)C1CCCCC1.[Cl-].
What is the InChIKey of 1-[cyclohexyl(ethyl)amino]-3-(2,4-dimethylphenoxy)propan-2-ol chloride?
The InChIKey is RDTNGDASHYGKSM-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H31NO2.ClH/c1-4-20(17-8-6-5-7-9-17)13-18(21)14-22-19-11-10-15(2)12-16(19)3;/h10-12,17-18,21H,4-9,13-14H2,1-3H3;1H/p-1.
What are the key properties of 1-[cyclohexyl(ethyl)amino]-3-(2,4-dimethylphenoxy)propan-2-ol chloride?
1-[cyclohexyl(ethyl)amino]-3-(2,4-dimethylphenoxy)propan-2-ol chloride has a molecular weight of 340.92 g/mol, XLogP of 0.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclohexyl(ethyl)amino]-3-(2,4-dimethylphenoxy)propan-2-ol chloride is sourced from PubChem (CID 21237610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).