(1R)-2-[[(2R)-butan-2-yl]-[(2,5-dimethylphenyl)methyl]amino]-1-phenylethanol

C21H29NO — CID 93147271

IUPAC(1R)-2-[[(2R)-butan-2-yl]-[(2,5-dimethylphenyl)methyl]amino]-1-phenylethanol
SMILESCC[C@@H](C)N(Cc1cc(C)ccc1C)C[C@H](O)c1ccccc1
InChIInChI=1S/C21H29NO/c1-5-18(4)22(14-20-13-16(2)11-12-17(20)3)15-21(23)19-9-7-6-8-10-19/h6-13,18,21,23H,5,14-15H2,1-4H3/t18-,21+/m1/s1
InChIKeyAFYIHOFGMUCEOO-NQIIRXRSSA-N
MW311.47 g/mol
LogP4.64
Rot. Bonds7

About (1R)-2-[[(2R)-butan-2-yl]-[(2,5-dimethylphenyl)methyl]amino]-1-phenylethanol

(1R)-2-[[(2R)-butan-2-yl]-[(2,5-dimethylphenyl)methyl]amino]-1-phenylethanol (PubChem CID 93147271) has the molecular formula C21H29NO and a molecular weight of 311.47 g/mol. Its IUPAC name is (1R)-2-[[(2R)-butan-2-yl]-[(2,5-dimethylphenyl)methyl]amino]-1-phenylethanol.

Molecular Properties

Compound Name(1R)-2-[[(2R)-butan-2-yl]-[(2,5-dimethylphenyl)methyl]amino]-1-phenylethanol
PubChem CID93147271
Molecular FormulaC21H29NO
Molecular Weight311.47 g/mol
Exact Mass311.22
IUPAC Name(1R)-2-[[(2R)-butan-2-yl]-[(2,5-dimethylphenyl)methyl]amino]-1-phenylethanol
SMILESCC[C@@H](C)N(Cc1cc(C)ccc1C)C[C@H](O)c1ccccc1
InChIInChI=1S/C21H29NO/c1-5-18(4)22(14-20-13-16(2)11-12-17(20)3)15-21(23)19-9-7-6-8-10-19/h6-13,18,21,23H,5,14-15H2,1-4H3/t18-,21+/m1/s1
InChIKeyAFYIHOFGMUCEOO-NQIIRXRSSA-N
XLogP4.64
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R)-2-[[(2R)-butan-2-yl]-[(2,5-dimethylphenyl)methyl]amino]-1-phenylethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-[[(2S)-butan-2-yl]-[(2,5-dimethylphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 93164703
[(2S)-3-[[(2S)-butan-2-yl]-[(2,5-dimethylphenyl)methyl]amino]-2-hydroxypropyl] butanoate
CID 93147400
2-[(4-methylphenyl)methyl-propan-2-ylamino]-1-phenylethanol
CID 46007541
(2S)-1-[[(2R)-butan-2-yl]-[(2,4-dimethylphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 93162353
2,6-bis[[bis[(2R)-2-hydroxy-2-phenylethyl]amino]methyl]-4-methylphenol
CID 10100730
1-[(2,5-dimethylphenyl)methyl-methylamino]propan-2-ol
CID 62333578
(2R)-1-(2,5-dimethylphenyl)butan-2-ol
CID 94208295
2-[butan-2-yl-[[1-methyl-5-(4-methylphenoxy)-3-phenylpyrazol-4-yl]methyl]amino]-1-phenylethanol
CID 42845318
2-(2,5-dimethylphenyl)-1-(4-methylphenyl)ethanol
CID 61481687
3-[butan-2-yl(ethyl)amino]-1-phenylpropan-1-ol
CID 62613917
(2R)-1-[[(2R)-butan-2-yl]-[(2-methylphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 99732501
N-[(2,5-dimethylphenyl)methyl]-1-phenylethanamine
CID 60684201

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[[(2R)-butan-2-yl]-[(2,5-dimethylphenyl)methyl]amino]-1-phenylethanol?
The IUPAC name of (1R)-2-[[(2R)-butan-2-yl]-[(2,5-dimethylphenyl)methyl]amino]-1-phenylethanol (CID 93147271) is (1R)-2-[[(2R)-butan-2-yl]-[(2,5-dimethylphenyl)methyl]amino]-1-phenylethanol.
What is the SMILES notation for (1R)-2-[[(2R)-butan-2-yl]-[(2,5-dimethylphenyl)methyl]amino]-1-phenylethanol?
The canonical SMILES for (1R)-2-[[(2R)-butan-2-yl]-[(2,5-dimethylphenyl)methyl]amino]-1-phenylethanol is CC[C@@H](C)N(Cc1cc(C)ccc1C)C[C@H](O)c1ccccc1.
What is the InChIKey of (1R)-2-[[(2R)-butan-2-yl]-[(2,5-dimethylphenyl)methyl]amino]-1-phenylethanol?
The InChIKey is AFYIHOFGMUCEOO-NQIIRXRSSA-N. The full InChI is InChI=1S/C21H29NO/c1-5-18(4)22(14-20-13-16(2)11-12-17(20)3)15-21(23)19-9-7-6-8-10-19/h6-13,18,21,23H,5,14-15H2,1-4H3/t18-,21+/m1/s1.
What are the key properties of (1R)-2-[[(2R)-butan-2-yl]-[(2,5-dimethylphenyl)methyl]amino]-1-phenylethanol?
(1R)-2-[[(2R)-butan-2-yl]-[(2,5-dimethylphenyl)methyl]amino]-1-phenylethanol has a molecular weight of 311.47 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[[(2R)-butan-2-yl]-[(2,5-dimethylphenyl)methyl]amino]-1-phenylethanol is sourced from PubChem (CID 93147271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).