3-(dimethylamino)-2-methyl-3-(4-phenylmethoxyphenyl)propan-1-ol

C19H25NO2 — CID 83932925

IUPAC3-(dimethylamino)-2-methyl-3-(4-phenylmethoxyphenyl)propan-1-ol
SMILESCC(CO)C(c1ccc(OCc2ccccc2)cc1)N(C)C
InChIInChI=1S/C19H25NO2/c1-15(13-21)19(20(2)3)17-9-11-18(12-10-17)22-14-16-7-5-4-6-8-16/h4-12,15,19,21H,13-14H2,1-3H3
InChIKeyKJULPKDXUNPOMD-UHFFFAOYSA-N
MW299.41 g/mol
LogP3.50
Rot. Bonds7

About 3-(dimethylamino)-2-methyl-3-(4-phenylmethoxyphenyl)propan-1-ol

3-(dimethylamino)-2-methyl-3-(4-phenylmethoxyphenyl)propan-1-ol (PubChem CID 83932925) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is 3-(dimethylamino)-2-methyl-3-(4-phenylmethoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(dimethylamino)-2-methyl-3-(4-phenylmethoxyphenyl)propan-1-ol
PubChem CID83932925
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name3-(dimethylamino)-2-methyl-3-(4-phenylmethoxyphenyl)propan-1-ol
SMILESCC(CO)C(c1ccc(OCc2ccccc2)cc1)N(C)C
InChIInChI=1S/C19H25NO2/c1-15(13-21)19(20(2)3)17-9-11-18(12-10-17)22-14-16-7-5-4-6-8-16/h4-12,15,19,21H,13-14H2,1-3H3
InChIKeyKJULPKDXUNPOMD-UHFFFAOYSA-N
XLogP3.50
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(N-methyl-4-phenylmethoxyanilino)phenyl]propan-1-ol
CID 118954631
2-[(S)-dimethylamino-(3-phenylmethoxyphenyl)methyl]propane-1,3-diol
CID 129404171
(1R)-1-(4-phenylmethoxyphenyl)ethane-1,2-diol
CID 71416199
1-(4-phenylmethoxyphenyl)ethanethiol
CID 43124131
1-(4-phenylmethoxyphenyl)propan-1-amine
CID 16795854
N,N-dimethyl-4-(4-phenylmethoxyphenyl)butan-2-amine
CID 19885180
[3-hydroxy-1-(4-phenylmethoxyphenyl)propyl]-methylcarbamic acid
CID 148920800
N-hydroxy-2-methyl-N-[1-(4-phenylmethoxyphenyl)ethyl]propanamide
CID 14156768
1-(4,4-dimethylpentan-2-yl)-4-phenylmethoxybenzene
CID 23566423
N-methoxy-1-(4-phenylmethoxyphenyl)ethanamine
CID 82707269
2-methoxy-1-(4-phenylmethoxyphenyl)ethanol
CID 13050554
N,N-dimethyl-4-(4-phenylmethoxyphenyl)but-3-en-2-amine
CID 118344224

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-2-methyl-3-(4-phenylmethoxyphenyl)propan-1-ol?
The IUPAC name of 3-(dimethylamino)-2-methyl-3-(4-phenylmethoxyphenyl)propan-1-ol (CID 83932925) is 3-(dimethylamino)-2-methyl-3-(4-phenylmethoxyphenyl)propan-1-ol.
What is the SMILES notation for 3-(dimethylamino)-2-methyl-3-(4-phenylmethoxyphenyl)propan-1-ol?
The canonical SMILES for 3-(dimethylamino)-2-methyl-3-(4-phenylmethoxyphenyl)propan-1-ol is CC(CO)C(c1ccc(OCc2ccccc2)cc1)N(C)C.
What is the InChIKey of 3-(dimethylamino)-2-methyl-3-(4-phenylmethoxyphenyl)propan-1-ol?
The InChIKey is KJULPKDXUNPOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-15(13-21)19(20(2)3)17-9-11-18(12-10-17)22-14-16-7-5-4-6-8-16/h4-12,15,19,21H,13-14H2,1-3H3.
What are the key properties of 3-(dimethylamino)-2-methyl-3-(4-phenylmethoxyphenyl)propan-1-ol?
3-(dimethylamino)-2-methyl-3-(4-phenylmethoxyphenyl)propan-1-ol has a molecular weight of 299.41 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-2-methyl-3-(4-phenylmethoxyphenyl)propan-1-ol is sourced from PubChem (CID 83932925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).