1-[cyclohexyl(methyl)amino]-3-(2-propan-2-ylphenoxy)propan-2-ol chloride

C19H31ClNO2- — CID 46863798

IUPAC1-[cyclohexyl(methyl)amino]-3-(2-propan-2-ylphenoxy)propan-2-ol chloride
SMILESCC(C)c1ccccc1OCC(O)CN(C)C1CCCCC1.[Cl-]
InChIInChI=1S/C19H31NO2.ClH/c1-15(2)18-11-7-8-12-19(18)22-14-17(21)13-20(3)16-9-5-4-6-10-16;/h7-8,11-12,15-17,21H,4-6,9-10,13-14H2,1-3H3;1H/p-1
InChIKeyXVZXPLYLNDTHSY-UHFFFAOYSA-M
MW340.92 g/mol
LogP0.82
Rot. Bonds7

About 1-[cyclohexyl(methyl)amino]-3-(2-propan-2-ylphenoxy)propan-2-ol chloride

1-[cyclohexyl(methyl)amino]-3-(2-propan-2-ylphenoxy)propan-2-ol chloride (PubChem CID 46863798) has the molecular formula C19H31ClNO2- and a molecular weight of 340.92 g/mol. Its IUPAC name is 1-[cyclohexyl(methyl)amino]-3-(2-propan-2-ylphenoxy)propan-2-ol chloride.

Molecular Properties

Compound Name1-[cyclohexyl(methyl)amino]-3-(2-propan-2-ylphenoxy)propan-2-ol chloride
PubChem CID46863798
Molecular FormulaC19H31ClNO2-
Molecular Weight340.92 g/mol
Exact Mass340.20
IUPAC Name1-[cyclohexyl(methyl)amino]-3-(2-propan-2-ylphenoxy)propan-2-ol chloride
SMILESCC(C)c1ccccc1OCC(O)CN(C)C1CCCCC1.[Cl-]
InChIInChI=1S/C19H31NO2.ClH/c1-15(2)18-11-7-8-12-19(18)22-14-17(21)13-20(3)16-9-5-4-6-10-16;/h7-8,11-12,15-17,21H,4-6,9-10,13-14H2,1-3H3;1H/p-1
InChIKeyXVZXPLYLNDTHSY-UHFFFAOYSA-M
XLogP0.82
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 ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[cyclohexyl(methyl)amino]-3-(2-fluorophenoxy)propan-2-ol chloride
CID 53350472
2-[[[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-methylamino]methyl]cyclopentan-1-ol
CID 109394116
1-(cyclooctylamino)-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 4799215
1-[cyclohexyl(methyl)amino]-3-naphthalen-2-yloxypropan-2-ol
CID 2919622
1-[cyclohexyl(methyl)amino]-3-[2-[(4-methylpiperidin-1-yl)methyl]phenoxy]propan-2-ol
CID 45200049
(2S)-1-(dicyclohexylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol
CID 35583289
1-[cyclobutyl(methyl)amino]-3-phenoxypropan-2-ol
CID 111488962
1-[cyclohexyl(methyl)amino]-3-(4-propan-2-ylphenoxy)propan-2-ol
CID 3416827
(2R)-1-[2-hydroxyethyl(methyl)amino]-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 95232149
1-[cyclobutyl(methyl)amino]-3-naphthalen-2-yloxypropan-2-ol
CID 111488940
1-[cyclohexyl(methyl)amino]-3-[2-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]phenoxy]propan-2-ol
CID 45210215
1-[cyclohexyl(methyl)amino]-3-[2-[(2-piperidin-1-ylethylamino)methyl]phenoxy]propan-2-ol
CID 45169097

Frequently Asked Questions

What is the IUPAC name of 1-[cyclohexyl(methyl)amino]-3-(2-propan-2-ylphenoxy)propan-2-ol chloride?
The IUPAC name of 1-[cyclohexyl(methyl)amino]-3-(2-propan-2-ylphenoxy)propan-2-ol chloride (CID 46863798) is 1-[cyclohexyl(methyl)amino]-3-(2-propan-2-ylphenoxy)propan-2-ol chloride.
What is the SMILES notation for 1-[cyclohexyl(methyl)amino]-3-(2-propan-2-ylphenoxy)propan-2-ol chloride?
The canonical SMILES for 1-[cyclohexyl(methyl)amino]-3-(2-propan-2-ylphenoxy)propan-2-ol chloride is CC(C)c1ccccc1OCC(O)CN(C)C1CCCCC1.[Cl-].
What is the InChIKey of 1-[cyclohexyl(methyl)amino]-3-(2-propan-2-ylphenoxy)propan-2-ol chloride?
The InChIKey is XVZXPLYLNDTHSY-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H31NO2.ClH/c1-15(2)18-11-7-8-12-19(18)22-14-17(21)13-20(3)16-9-5-4-6-10-16;/h7-8,11-12,15-17,21H,4-6,9-10,13-14H2,1-3H3;1H/p-1.
What are the key properties of 1-[cyclohexyl(methyl)amino]-3-(2-propan-2-ylphenoxy)propan-2-ol chloride?
1-[cyclohexyl(methyl)amino]-3-(2-propan-2-ylphenoxy)propan-2-ol chloride has a molecular weight of 340.92 g/mol, XLogP of 0.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclohexyl(methyl)amino]-3-(2-propan-2-ylphenoxy)propan-2-ol chloride is sourced from PubChem (CID 46863798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).