1-(dicyclohexylamino)-3-(4-methoxyphenoxy)propan-2-ol chloride

C22H35ClNO3- — CID 53314392

IUPAC1-(dicyclohexylamino)-3-(4-methoxyphenoxy)propan-2-ol chloride
SMILESCOc1ccc(OCC(O)CN(C2CCCCC2)C2CCCCC2)cc1.[Cl-]
InChIInChI=1S/C22H35NO3.ClH/c1-25-21-12-14-22(15-13-21)26-17-20(24)16-23(18-8-4-2-5-9-18)19-10-6-3-7-11-19;/h12-15,18-20,24H,2-11,16-17H2,1H3;1H/p-1
InChIKeyLKFBZBVEHZTEAJ-UHFFFAOYSA-M
MW396.98 g/mol
LogP1.41
Rot. Bonds8

About 1-(dicyclohexylamino)-3-(4-methoxyphenoxy)propan-2-ol chloride

1-(dicyclohexylamino)-3-(4-methoxyphenoxy)propan-2-ol chloride (PubChem CID 53314392) has the molecular formula C22H35ClNO3- and a molecular weight of 396.98 g/mol. Its IUPAC name is 1-(dicyclohexylamino)-3-(4-methoxyphenoxy)propan-2-ol chloride.

Molecular Properties

Compound Name1-(dicyclohexylamino)-3-(4-methoxyphenoxy)propan-2-ol chloride
PubChem CID53314392
Molecular FormulaC22H35ClNO3-
Molecular Weight396.98 g/mol
Exact Mass396.23
IUPAC Name1-(dicyclohexylamino)-3-(4-methoxyphenoxy)propan-2-ol chloride
SMILESCOc1ccc(OCC(O)CN(C2CCCCC2)C2CCCCC2)cc1.[Cl-]
InChIInChI=1S/C22H35NO3.ClH/c1-25-21-12-14-22(15-13-21)26-17-20(24)16-23(18-8-4-2-5-9-18)19-10-6-3-7-11-19;/h12-15,18-20,24H,2-11,16-17H2,1H3;1H/p-1
InChIKeyLKFBZBVEHZTEAJ-UHFFFAOYSA-M
XLogP1.41
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.98
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[cyclohexyl(methyl)amino]-3-(4-methylphenoxy)propan-2-ol
CID 8741472
1-[cyclohexyl(methyl)amino]-3-naphthalen-2-yloxypropan-2-ol
CID 2919622
1-[cyclohexyl(methyl)amino]-3-(4-propan-2-ylphenoxy)propan-2-ol
CID 3416827
1-[cyclobutyl(methyl)amino]-3-phenoxypropan-2-ol
CID 111488962
4-[3-[cyclohexyl(methyl)amino]-2-hydroxypropoxy]benzonitrile
CID 43213548
4-[(2S)-3-[cyclohexyl(methyl)amino]-2-hydroxypropoxy]benzonitrile
CID 32730119
1-[cyclobutyl(methyl)amino]-3-naphthalen-2-yloxypropan-2-ol
CID 111488940
1-(2-bromophenoxy)-3-(dicyclohexylamino)propan-2-ol
CID 2916524
cyclopentyl-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]azanium
CID 7473365
1-[4-[(2R)-3-[cyclohexyl(methyl)amino]-2-hydroxypropoxy]phenyl]propan-1-one
CID 1265839
(2S)-1-(dicyclohexylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol
CID 35583289
1-[benzyl-[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 132585802

Frequently Asked Questions

What is the IUPAC name of 1-(dicyclohexylamino)-3-(4-methoxyphenoxy)propan-2-ol chloride?
The IUPAC name of 1-(dicyclohexylamino)-3-(4-methoxyphenoxy)propan-2-ol chloride (CID 53314392) is 1-(dicyclohexylamino)-3-(4-methoxyphenoxy)propan-2-ol chloride.
What is the SMILES notation for 1-(dicyclohexylamino)-3-(4-methoxyphenoxy)propan-2-ol chloride?
The canonical SMILES for 1-(dicyclohexylamino)-3-(4-methoxyphenoxy)propan-2-ol chloride is COc1ccc(OCC(O)CN(C2CCCCC2)C2CCCCC2)cc1.[Cl-].
What is the InChIKey of 1-(dicyclohexylamino)-3-(4-methoxyphenoxy)propan-2-ol chloride?
The InChIKey is LKFBZBVEHZTEAJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H35NO3.ClH/c1-25-21-12-14-22(15-13-21)26-17-20(24)16-23(18-8-4-2-5-9-18)19-10-6-3-7-11-19;/h12-15,18-20,24H,2-11,16-17H2,1H3;1H/p-1.
What are the key properties of 1-(dicyclohexylamino)-3-(4-methoxyphenoxy)propan-2-ol chloride?
1-(dicyclohexylamino)-3-(4-methoxyphenoxy)propan-2-ol chloride has a molecular weight of 396.98 g/mol, XLogP of 1.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dicyclohexylamino)-3-(4-methoxyphenoxy)propan-2-ol chloride is sourced from PubChem (CID 53314392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).