(2R)-1-[benzyl-[(4-methylphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol

C25H29NO2 — CID 93163727

IUPAC(2R)-1-[benzyl-[(4-methylphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol
SMILESCc1ccc(CN(Cc2ccccc2)C[C@@H](O)COc2ccccc2C)cc1
InChIInChI=1S/C25H29NO2/c1-20-12-14-23(15-13-20)17-26(16-22-9-4-3-5-10-22)18-24(27)19-28-25-11-7-6-8-21(25)2/h3-15,24,27H,16-19H2,1-2H3/t24-/m1/s1
InChIKeyPWQQPCKTHGJOFC-XMMPIXPASA-N
MW375.51 g/mol
LogP4.75
Rot. Bonds9

About (2R)-1-[benzyl-[(4-methylphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol

(2R)-1-[benzyl-[(4-methylphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol (PubChem CID 93163727) has the molecular formula C25H29NO2 and a molecular weight of 375.51 g/mol. Its IUPAC name is (2R)-1-[benzyl-[(4-methylphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[benzyl-[(4-methylphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol
PubChem CID93163727
Molecular FormulaC25H29NO2
Molecular Weight375.51 g/mol
Exact Mass375.22
IUPAC Name(2R)-1-[benzyl-[(4-methylphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol
SMILESCc1ccc(CN(Cc2ccccc2)C[C@@H](O)COc2ccccc2C)cc1
InChIInChI=1S/C25H29NO2/c1-20-12-14-23(15-13-20)17-26(16-22-9-4-3-5-10-22)18-24(27)19-28-25-11-7-6-8-21(25)2/h3-15,24,27H,16-19H2,1-2H3/t24-/m1/s1
InChIKeyPWQQPCKTHGJOFC-XMMPIXPASA-N
XLogP4.75
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-1-[benzyl-[(4-methylphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol with MolForge

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Related Compounds

1-(2-methylphenoxy)-3-[(4-methylphenyl)methyl-(2-methylpropyl)amino]propan-2-ol
CID 24717275
(2S)-1-[benzyl(propyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 93161495
1-[benzyl-[(3-fluorophenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 46007957
(2S)-1-[benzyl-[(3-fluorophenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 93164915
(2S)-1-[benzyl(thiophen-2-ylmethyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 93164463
(2R)-1-[benzyl(furan-2-ylmethyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 2502652
1-[benzyl(methyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 117067141
1-[benzyl-[(2,3-dimethoxyphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 46007827
(2R)-1-(2-methylphenoxy)-3-[(4-methylphenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]propan-2-ol
CID 98688528
(2S)-1-[cyclopropyl-[(4-methylphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 93163790
1-[(2,4-difluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 46007941
(2S)-1-[benzyl-[(4-methylphenyl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol
CID 93163720

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[benzyl-[(4-methylphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol?
The IUPAC name of (2R)-1-[benzyl-[(4-methylphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol (CID 93163727) is (2R)-1-[benzyl-[(4-methylphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol.
What is the SMILES notation for (2R)-1-[benzyl-[(4-methylphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol?
The canonical SMILES for (2R)-1-[benzyl-[(4-methylphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol is Cc1ccc(CN(Cc2ccccc2)C[C@@H](O)COc2ccccc2C)cc1.
What is the InChIKey of (2R)-1-[benzyl-[(4-methylphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol?
The InChIKey is PWQQPCKTHGJOFC-XMMPIXPASA-N. The full InChI is InChI=1S/C25H29NO2/c1-20-12-14-23(15-13-20)17-26(16-22-9-4-3-5-10-22)18-24(27)19-28-25-11-7-6-8-21(25)2/h3-15,24,27H,16-19H2,1-2H3/t24-/m1/s1.
What are the key properties of (2R)-1-[benzyl-[(4-methylphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol?
(2R)-1-[benzyl-[(4-methylphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol has a molecular weight of 375.51 g/mol, XLogP of 4.75, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[benzyl-[(4-methylphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol is sourced from PubChem (CID 93163727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).