(1R)-1-amino-3-methyl-3-phenyl-4-(4-phenylmethoxyphenyl)butan-1-ol

C24H27NO2 — CID 67673733

IUPAC(1R)-1-amino-3-methyl-3-phenyl-4-(4-phenylmethoxyphenyl)butan-1-ol
SMILESCC(Cc1ccc(OCc2ccccc2)cc1)(C[C@H](N)O)c1ccccc1
InChIInChI=1S/C24H27NO2/c1-24(17-23(25)26,21-10-6-3-7-11-21)16-19-12-14-22(15-13-19)27-18-20-8-4-2-5-9-20/h2-15,23,26H,16-18,25H2,1H3/t23-,24?/m1/s1
InChIKeyKGJGYKLZLPKRQI-MIHMCVIASA-N
MW361.49 g/mol
LogP4.43
Rot. Bonds8

About (1R)-1-amino-3-methyl-3-phenyl-4-(4-phenylmethoxyphenyl)butan-1-ol

(1R)-1-amino-3-methyl-3-phenyl-4-(4-phenylmethoxyphenyl)butan-1-ol (PubChem CID 67673733) has the molecular formula C24H27NO2 and a molecular weight of 361.49 g/mol. Its IUPAC name is (1R)-1-amino-3-methyl-3-phenyl-4-(4-phenylmethoxyphenyl)butan-1-ol.

Molecular Properties

Compound Name(1R)-1-amino-3-methyl-3-phenyl-4-(4-phenylmethoxyphenyl)butan-1-ol
PubChem CID67673733
Molecular FormulaC24H27NO2
Molecular Weight361.49 g/mol
Exact Mass361.20
IUPAC Name(1R)-1-amino-3-methyl-3-phenyl-4-(4-phenylmethoxyphenyl)butan-1-ol
SMILESCC(Cc1ccc(OCc2ccccc2)cc1)(C[C@H](N)O)c1ccccc1
InChIInChI=1S/C24H27NO2/c1-24(17-23(25)26,21-10-6-3-7-11-21)16-19-12-14-22(15-13-19)27-18-20-8-4-2-5-9-20/h2-15,23,26H,16-18,25H2,1H3/t23-,24?/m1/s1
InChIKeyKGJGYKLZLPKRQI-MIHMCVIASA-N
XLogP4.43
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (1R)-1-amino-3-methyl-3-phenyl-4-(4-phenylmethoxyphenyl)butan-1-ol 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)-2-amino-2-methyl-3-(4-phenylmethoxyphenyl)propanoic acid
CID 14019806
2-hydroxy-2-methyl-3-(4-phenylmethoxyphenyl)propanoic acid
CID 67301593
4,4-dimethyl-1-(4-phenylmethoxyphenyl)pentane-2,3-diamine
CID 70090854
(1S)-2,2-dimethyl-1-(4-phenylmethoxyphenyl)propan-1-amine;hydrochloride
CID 171243441
(2S)-2-amino-3-(4-phenylmethoxyphenyl)propane-1,1-diol
CID 130242612
(4-phenylmethoxyphenyl)methyl 2,2-dimethylpropanoate
CID 70968645
1-amino-2-(4-phenylmethoxyphenyl)ethane-1,2-diol
CID 70474392
2-hydroxy-2-phenyl-2-(4-phenylmethoxyphenyl)acetamide
CID 139613624
4-phenylmethoxyaniline
CID 159966727
(2R)-3-ethoxy-2-methyl-3-oxo-2-[(4-phenylmethoxyphenyl)methyl]propanoic acid
CID 101480008
(2S)-4-(4-phenylmethoxyphenyl)butan-2-ol
CID 93002881
[3,3-dimethyl-2-(oxiran-2-yl)-1-(4-phenylmethoxyphenyl)butan-2-yl] carbamate
CID 87513613

Frequently Asked Questions

What is the IUPAC name of (1R)-1-amino-3-methyl-3-phenyl-4-(4-phenylmethoxyphenyl)butan-1-ol?
The IUPAC name of (1R)-1-amino-3-methyl-3-phenyl-4-(4-phenylmethoxyphenyl)butan-1-ol (CID 67673733) is (1R)-1-amino-3-methyl-3-phenyl-4-(4-phenylmethoxyphenyl)butan-1-ol.
What is the SMILES notation for (1R)-1-amino-3-methyl-3-phenyl-4-(4-phenylmethoxyphenyl)butan-1-ol?
The canonical SMILES for (1R)-1-amino-3-methyl-3-phenyl-4-(4-phenylmethoxyphenyl)butan-1-ol is CC(Cc1ccc(OCc2ccccc2)cc1)(C[C@H](N)O)c1ccccc1.
What is the InChIKey of (1R)-1-amino-3-methyl-3-phenyl-4-(4-phenylmethoxyphenyl)butan-1-ol?
The InChIKey is KGJGYKLZLPKRQI-MIHMCVIASA-N. The full InChI is InChI=1S/C24H27NO2/c1-24(17-23(25)26,21-10-6-3-7-11-21)16-19-12-14-22(15-13-19)27-18-20-8-4-2-5-9-20/h2-15,23,26H,16-18,25H2,1H3/t23-,24?/m1/s1.
What are the key properties of (1R)-1-amino-3-methyl-3-phenyl-4-(4-phenylmethoxyphenyl)butan-1-ol?
(1R)-1-amino-3-methyl-3-phenyl-4-(4-phenylmethoxyphenyl)butan-1-ol has a molecular weight of 361.49 g/mol, XLogP of 4.43, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-amino-3-methyl-3-phenyl-4-(4-phenylmethoxyphenyl)butan-1-ol is sourced from PubChem (CID 67673733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).