1-[cyclohexyl(methyl)amino]-3-(4-propan-2-ylphenoxy)propan-2-ol

C19H31NO2 — CID 3416827

IUPAC1-[cyclohexyl(methyl)amino]-3-(4-propan-2-ylphenoxy)propan-2-ol
SMILESCC(C)c1ccc(OCC(O)CN(C)C2CCCCC2)cc1
InChIInChI=1S/C19H31NO2/c1-15(2)16-9-11-19(12-10-16)22-14-18(21)13-20(3)17-7-5-4-6-8-17/h9-12,15,17-18,21H,4-8,13-14H2,1-3H3
InChIKeyWYGPQADPOSNBCU-UHFFFAOYSA-N
MW305.46 g/mol
LogP3.81
Rot. Bonds7

About 1-[cyclohexyl(methyl)amino]-3-(4-propan-2-ylphenoxy)propan-2-ol

1-[cyclohexyl(methyl)amino]-3-(4-propan-2-ylphenoxy)propan-2-ol (PubChem CID 3416827) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is 1-[cyclohexyl(methyl)amino]-3-(4-propan-2-ylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[cyclohexyl(methyl)amino]-3-(4-propan-2-ylphenoxy)propan-2-ol
PubChem CID3416827
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC Name1-[cyclohexyl(methyl)amino]-3-(4-propan-2-ylphenoxy)propan-2-ol
SMILESCC(C)c1ccc(OCC(O)CN(C)C2CCCCC2)cc1
InChIInChI=1S/C19H31NO2/c1-15(2)16-9-11-19(12-10-16)22-14-18(21)13-20(3)17-7-5-4-6-8-17/h9-12,15,17-18,21H,4-8,13-14H2,1-3H3
InChIKeyWYGPQADPOSNBCU-UHFFFAOYSA-N
XLogP3.81
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[cyclohexyl(methyl)amino]-3-(4-methylphenoxy)propan-2-ol
CID 8741472
4-[3-[cyclohexyl(methyl)amino]-2-hydroxypropoxy]benzonitrile
CID 43213548
4-[(2S)-3-[cyclohexyl(methyl)amino]-2-hydroxypropoxy]benzonitrile
CID 32730119
1-[cyclohexyl(methyl)amino]-3-naphthalen-2-yloxypropan-2-ol
CID 2919622
1-[cyclobutyl(methyl)amino]-3-phenoxypropan-2-ol
CID 111488962
1-[4-[(2R)-3-[cyclohexyl(methyl)amino]-2-hydroxypropoxy]phenyl]propan-1-one
CID 1265839
1-[cyclobutyl(methyl)amino]-3-naphthalen-2-yloxypropan-2-ol
CID 111488940
1-(4-chloro-3,5-dimethylphenoxy)-3-[cyclohexyl(methyl)amino]propan-2-ol
CID 3416899
1-[cyclohexyl(methyl)amino]-3-(2-propan-2-ylphenoxy)propan-2-ol chloride
CID 46863798
3-[3-[cyclohexyl(methyl)amino]-2-hydroxypropoxy]benzonitrile
CID 43288694
1-(dicyclohexylamino)-3-(4-methoxyphenoxy)propan-2-ol chloride
CID 53314392
1-[3-(aminomethyl)phenoxy]-3-[cyclohexyl(methyl)amino]propan-2-ol
CID 43253511

Frequently Asked Questions

What is the IUPAC name of 1-[cyclohexyl(methyl)amino]-3-(4-propan-2-ylphenoxy)propan-2-ol?
The IUPAC name of 1-[cyclohexyl(methyl)amino]-3-(4-propan-2-ylphenoxy)propan-2-ol (CID 3416827) is 1-[cyclohexyl(methyl)amino]-3-(4-propan-2-ylphenoxy)propan-2-ol.
What is the SMILES notation for 1-[cyclohexyl(methyl)amino]-3-(4-propan-2-ylphenoxy)propan-2-ol?
The canonical SMILES for 1-[cyclohexyl(methyl)amino]-3-(4-propan-2-ylphenoxy)propan-2-ol is CC(C)c1ccc(OCC(O)CN(C)C2CCCCC2)cc1.
What is the InChIKey of 1-[cyclohexyl(methyl)amino]-3-(4-propan-2-ylphenoxy)propan-2-ol?
The InChIKey is WYGPQADPOSNBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO2/c1-15(2)16-9-11-19(12-10-16)22-14-18(21)13-20(3)17-7-5-4-6-8-17/h9-12,15,17-18,21H,4-8,13-14H2,1-3H3.
What are the key properties of 1-[cyclohexyl(methyl)amino]-3-(4-propan-2-ylphenoxy)propan-2-ol?
1-[cyclohexyl(methyl)amino]-3-(4-propan-2-ylphenoxy)propan-2-ol has a molecular weight of 305.46 g/mol, XLogP of 3.81, 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-(4-propan-2-ylphenoxy)propan-2-ol is sourced from PubChem (CID 3416827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).