(2R)-1-[[(1S,2R)-2-methylcyclohexyl]amino]-3-(4-phenylphenoxy)propan-2-ol

C22H29NO2 — CID 92520942

IUPAC(2R)-1-[[(1S,2R)-2-methylcyclohexyl]amino]-3-(4-phenylphenoxy)propan-2-ol
SMILESC[C@@H]1CCCC[C@@H]1NC[C@@H](O)COc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H29NO2/c1-17-7-5-6-10-22(17)23-15-20(24)16-25-21-13-11-19(12-14-21)18-8-3-2-4-9-18/h2-4,8-9,11-14,17,20,22-24H,5-7,10,15-16H2,1H3/t17-,20-,22+/m1/s1
InChIKeyHCVTZZOECXSSPG-ZNLUXHQJSA-N
MW339.48 g/mol
LogP4.26
Rot. Bonds7

About (2R)-1-[[(1S,2R)-2-methylcyclohexyl]amino]-3-(4-phenylphenoxy)propan-2-ol

(2R)-1-[[(1S,2R)-2-methylcyclohexyl]amino]-3-(4-phenylphenoxy)propan-2-ol (PubChem CID 92520942) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is (2R)-1-[[(1S,2R)-2-methylcyclohexyl]amino]-3-(4-phenylphenoxy)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[[(1S,2R)-2-methylcyclohexyl]amino]-3-(4-phenylphenoxy)propan-2-ol
PubChem CID92520942
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC Name(2R)-1-[[(1S,2R)-2-methylcyclohexyl]amino]-3-(4-phenylphenoxy)propan-2-ol
SMILESC[C@@H]1CCCC[C@@H]1NC[C@@H](O)COc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H29NO2/c1-17-7-5-6-10-22(17)23-15-20(24)16-25-21-13-11-19(12-14-21)18-8-3-2-4-9-18/h2-4,8-9,11-14,17,20,22-24H,5-7,10,15-16H2,1H3/t17-,20-,22+/m1/s1
InChIKeyHCVTZZOECXSSPG-ZNLUXHQJSA-N
XLogP4.26
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-1-[[(1S,2R)-2-methylcyclohexyl]amino]-3-(4-phenylphenoxy)propan-2-ol with MolForge

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Related Compounds

1-(4-bromophenoxy)-3-[(2-methylcyclohexyl)amino]propan-2-ol
CID 60632582
1-[4-[4-[2-hydroxy-3-[(2-methylcyclohexyl)amino]propoxy]phenyl]sulfonylphenoxy]-3-[(2-methylcyclohexyl)amino]propan-2-ol
CID 19133379
1-(3-methoxyphenoxy)-3-[(2-methylcyclohexyl)amino]propan-2-ol
CID 60632231
1-(2,6-dimethylphenoxy)-3-[(2-methylcyclohexyl)amino]propan-2-ol
CID 60632624
1-(3,5-dimethylphenoxy)-3-[(2-methylcyclopentyl)amino]propan-2-ol
CID 63278408
1-[(2-methylcyclopropyl)amino]-3-(4-methylphenoxy)propan-2-ol
CID 62397928
1-[(2,4-dimethylcyclohexyl)amino]-3-(4-methylphenoxy)propan-2-ol
CID 63995480
1-(oxan-4-ylamino)-3-(4-phenylphenoxy)propan-2-ol;hydrochloride
CID 122714549
(2R)-1-(cyclopentylamino)-3-[4-[(2R)-3-(cyclopentylamino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 7454139
1-[[2-(hydroxymethyl)cyclopentyl]amino]-3-phenoxypropan-2-ol
CID 106360731
1-ethoxy-3-[(2-methylcyclohexyl)amino]propan-2-ol
CID 63933567
1-[(2-methoxycyclopentyl)amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 62088573

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[(1S,2R)-2-methylcyclohexyl]amino]-3-(4-phenylphenoxy)propan-2-ol?
The IUPAC name of (2R)-1-[[(1S,2R)-2-methylcyclohexyl]amino]-3-(4-phenylphenoxy)propan-2-ol (CID 92520942) is (2R)-1-[[(1S,2R)-2-methylcyclohexyl]amino]-3-(4-phenylphenoxy)propan-2-ol.
What is the SMILES notation for (2R)-1-[[(1S,2R)-2-methylcyclohexyl]amino]-3-(4-phenylphenoxy)propan-2-ol?
The canonical SMILES for (2R)-1-[[(1S,2R)-2-methylcyclohexyl]amino]-3-(4-phenylphenoxy)propan-2-ol is C[C@@H]1CCCC[C@@H]1NC[C@@H](O)COc1ccc(-c2ccccc2)cc1.
What is the InChIKey of (2R)-1-[[(1S,2R)-2-methylcyclohexyl]amino]-3-(4-phenylphenoxy)propan-2-ol?
The InChIKey is HCVTZZOECXSSPG-ZNLUXHQJSA-N. The full InChI is InChI=1S/C22H29NO2/c1-17-7-5-6-10-22(17)23-15-20(24)16-25-21-13-11-19(12-14-21)18-8-3-2-4-9-18/h2-4,8-9,11-14,17,20,22-24H,5-7,10,15-16H2,1H3/t17-,20-,22+/m1/s1.
What are the key properties of (2R)-1-[[(1S,2R)-2-methylcyclohexyl]amino]-3-(4-phenylphenoxy)propan-2-ol?
(2R)-1-[[(1S,2R)-2-methylcyclohexyl]amino]-3-(4-phenylphenoxy)propan-2-ol has a molecular weight of 339.48 g/mol, XLogP of 4.26, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[(1S,2R)-2-methylcyclohexyl]amino]-3-(4-phenylphenoxy)propan-2-ol is sourced from PubChem (CID 92520942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).