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

C17H27NO2 — CID 8741472

IUPAC(2S)-1-[cyclohexyl(methyl)amino]-3-(4-methylphenoxy)propan-2-ol
SMILESCc1ccc(OC[C@@H](O)CN(C)C2CCCCC2)cc1
InChIInChI=1S/C17H27NO2/c1-14-8-10-17(11-9-14)20-13-16(19)12-18(2)15-6-4-3-5-7-15/h8-11,15-16,19H,3-7,12-13H2,1-2H3/t16-/m0/s1
InChIKeyYFADKVPPSMOCDV-INIZCTEOSA-N
MW277.41 g/mol
LogP3.00
Rot. Bonds6

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

(2S)-1-[cyclohexyl(methyl)amino]-3-(4-methylphenoxy)propan-2-ol (PubChem CID 8741472) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is (2S)-1-[cyclohexyl(methyl)amino]-3-(4-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[cyclohexyl(methyl)amino]-3-(4-methylphenoxy)propan-2-ol
PubChem CID8741472
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name(2S)-1-[cyclohexyl(methyl)amino]-3-(4-methylphenoxy)propan-2-ol
SMILESCc1ccc(OC[C@@H](O)CN(C)C2CCCCC2)cc1
InChIInChI=1S/C17H27NO2/c1-14-8-10-17(11-9-14)20-13-16(19)12-18(2)15-6-4-3-5-7-15/h8-11,15-16,19H,3-7,12-13H2,1-2H3/t16-/m0/s1
InChIKeyYFADKVPPSMOCDV-INIZCTEOSA-N
XLogP3.00
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-1-[cyclohexyl(methyl)amino]-3-(4-methylphenoxy)propan-2-ol with MolForge

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Related Compounds

1-[cyclohexyl(methyl)amino]-3-(4-propan-2-ylphenoxy)propan-2-ol
CID 3416827
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-phenoxypropan-2-ol
CID 111488962
1-[cyclohexyl(methyl)amino]-3-naphthalen-2-yloxypropan-2-ol
CID 2919622
1-[4-[(2R)-3-[cyclohexyl(methyl)amino]-2-hydroxypropoxy]phenyl]propan-1-one
CID 1265839
1-(4-chloro-3,5-dimethylphenoxy)-3-[cyclohexyl(methyl)amino]propan-2-ol
CID 3416899
1-[cyclobutyl(methyl)amino]-3-naphthalen-2-yloxypropan-2-ol
CID 111488940
3-[3-[cyclohexyl(methyl)amino]-2-hydroxypropoxy]benzonitrile
CID 43288694
1-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-3-(4-methylphenoxy)propan-2-ol
CID 111858601
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 (2S)-1-[cyclohexyl(methyl)amino]-3-(4-methylphenoxy)propan-2-ol?
The IUPAC name of (2S)-1-[cyclohexyl(methyl)amino]-3-(4-methylphenoxy)propan-2-ol (CID 8741472) is (2S)-1-[cyclohexyl(methyl)amino]-3-(4-methylphenoxy)propan-2-ol.
What is the SMILES notation for (2S)-1-[cyclohexyl(methyl)amino]-3-(4-methylphenoxy)propan-2-ol?
The canonical SMILES for (2S)-1-[cyclohexyl(methyl)amino]-3-(4-methylphenoxy)propan-2-ol is Cc1ccc(OC[C@@H](O)CN(C)C2CCCCC2)cc1.
What is the InChIKey of (2S)-1-[cyclohexyl(methyl)amino]-3-(4-methylphenoxy)propan-2-ol?
The InChIKey is YFADKVPPSMOCDV-INIZCTEOSA-N. The full InChI is InChI=1S/C17H27NO2/c1-14-8-10-17(11-9-14)20-13-16(19)12-18(2)15-6-4-3-5-7-15/h8-11,15-16,19H,3-7,12-13H2,1-2H3/t16-/m0/s1.
What are the key properties of (2S)-1-[cyclohexyl(methyl)amino]-3-(4-methylphenoxy)propan-2-ol?
(2S)-1-[cyclohexyl(methyl)amino]-3-(4-methylphenoxy)propan-2-ol has a molecular weight of 277.41 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[cyclohexyl(methyl)amino]-3-(4-methylphenoxy)propan-2-ol is sourced from PubChem (CID 8741472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).