(2R)-1-[[(2R)-butan-2-yl]-[(2-methylphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol

C22H31NO2 — CID 99732501

IUPAC(2R)-1-[[(2R)-butan-2-yl]-[(2-methylphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol
SMILESCC[C@@H](C)N(Cc1ccccc1C)C[C@@H](O)COc1ccccc1C
InChIInChI=1S/C22H31NO2/c1-5-19(4)23(14-20-12-8-6-10-17(20)2)15-21(24)16-25-22-13-9-7-11-18(22)3/h6-13,19,21,24H,5,14-16H2,1-4H3/t19-,21-/m1/s1
InChIKeyNOTLZLDQNKMMMF-TZIWHRDSSA-N
MW341.50 g/mol
LogP4.34
Rot. Bonds9

About (2R)-1-[[(2R)-butan-2-yl]-[(2-methylphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol

(2R)-1-[[(2R)-butan-2-yl]-[(2-methylphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol (PubChem CID 99732501) has the molecular formula C22H31NO2 and a molecular weight of 341.50 g/mol. Its IUPAC name is (2R)-1-[[(2R)-butan-2-yl]-[(2-methylphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[[(2R)-butan-2-yl]-[(2-methylphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol
PubChem CID99732501
Molecular FormulaC22H31NO2
Molecular Weight341.50 g/mol
Exact Mass341.24
IUPAC Name(2R)-1-[[(2R)-butan-2-yl]-[(2-methylphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol
SMILESCC[C@@H](C)N(Cc1ccccc1C)C[C@@H](O)COc1ccccc1C
InChIInChI=1S/C22H31NO2/c1-5-19(4)23(14-20-12-8-6-10-17(20)2)15-21(24)16-25-22-13-9-7-11-18(22)3/h6-13,19,21,24H,5,14-16H2,1-4H3/t19-,21-/m1/s1
InChIKeyNOTLZLDQNKMMMF-TZIWHRDSSA-N
XLogP4.34
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-1-[[(2R)-butan-2-yl]-[(2-methylphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol with MolForge

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Related Compounds

(2R)-1-[[(2S)-butan-2-yl]-[(3-methylphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 99732486
1-[butan-2-yl-[(4-methoxyphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 46007607
(2R)-1-[[(2R)-butan-2-yl]-[(2-methylphenyl)methyl]amino]-3-prop-2-ynoxypropan-2-ol
CID 98628517
(2S)-1-[(2-methylphenyl)methyl-propan-2-ylamino]-3-propan-2-yloxypropan-2-ol
CID 93164988
(2R)-1-[(2-methylphenyl)methyl-propan-2-ylamino]-3-(2-methylpropoxy)propan-2-ol
CID 93164993
(2R)-1-[(4-fluorophenyl)methyl-propan-2-ylamino]-3-(2-methylphenoxy)propan-2-ol
CID 93164105
1-[bis(2-methylpropyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 2915985
1-(2-chlorophenoxy)-3-[ethyl-[(2-methylphenyl)methyl]amino]propan-2-ol
CID 112820795
1-[(2-methylphenyl)methyl-propan-2-ylamino]-3-phenylmethoxypropan-2-ol
CID 46007981
(2R)-1-[(2,5-dimethylphenyl)methyl-propylamino]-3-(2-methylphenoxy)propan-2-ol
CID 93161722
1-[(2,4-dimethylphenyl)methyl-propylamino]-3-(2-methylphenoxy)propan-2-ol
CID 42682310
1-[benzyl(methyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 117067141

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[(2R)-butan-2-yl]-[(2-methylphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol?
The IUPAC name of (2R)-1-[[(2R)-butan-2-yl]-[(2-methylphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol (CID 99732501) is (2R)-1-[[(2R)-butan-2-yl]-[(2-methylphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol.
What is the SMILES notation for (2R)-1-[[(2R)-butan-2-yl]-[(2-methylphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol?
The canonical SMILES for (2R)-1-[[(2R)-butan-2-yl]-[(2-methylphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol is CC[C@@H](C)N(Cc1ccccc1C)C[C@@H](O)COc1ccccc1C.
What is the InChIKey of (2R)-1-[[(2R)-butan-2-yl]-[(2-methylphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol?
The InChIKey is NOTLZLDQNKMMMF-TZIWHRDSSA-N. The full InChI is InChI=1S/C22H31NO2/c1-5-19(4)23(14-20-12-8-6-10-17(20)2)15-21(24)16-25-22-13-9-7-11-18(22)3/h6-13,19,21,24H,5,14-16H2,1-4H3/t19-,21-/m1/s1.
What are the key properties of (2R)-1-[[(2R)-butan-2-yl]-[(2-methylphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol?
(2R)-1-[[(2R)-butan-2-yl]-[(2-methylphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol has a molecular weight of 341.50 g/mol, XLogP of 4.34, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[(2R)-butan-2-yl]-[(2-methylphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol is sourced from PubChem (CID 99732501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).