3-[(2,5-dimethoxyphenyl)methyl-methylamino]-3-phenylpropan-1-ol

C19H25NO3 — CID 111489124

IUPAC3-[(2,5-dimethoxyphenyl)methyl-methylamino]-3-phenylpropan-1-ol
SMILESCOc1ccc(OC)c(CN(C)C(CCO)c2ccccc2)c1
InChIInChI=1S/C19H25NO3/c1-20(18(11-12-21)15-7-5-4-6-8-15)14-16-13-17(22-2)9-10-19(16)23-3/h4-10,13,18,21H,11-12,14H2,1-3H3
InChIKeyZLQJQUYWHDKNLN-UHFFFAOYSA-N
MW315.41 g/mol
LogP3.26
Rot. Bonds8

About 3-[(2,5-dimethoxyphenyl)methyl-methylamino]-3-phenylpropan-1-ol

3-[(2,5-dimethoxyphenyl)methyl-methylamino]-3-phenylpropan-1-ol (PubChem CID 111489124) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 3-[(2,5-dimethoxyphenyl)methyl-methylamino]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name3-[(2,5-dimethoxyphenyl)methyl-methylamino]-3-phenylpropan-1-ol
PubChem CID111489124
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name3-[(2,5-dimethoxyphenyl)methyl-methylamino]-3-phenylpropan-1-ol
SMILESCOc1ccc(OC)c(CN(C)C(CCO)c2ccccc2)c1
InChIInChI=1S/C19H25NO3/c1-20(18(11-12-21)15-7-5-4-6-8-15)14-16-13-17(22-2)9-10-19(16)23-3/h4-10,13,18,21H,11-12,14H2,1-3H3
InChIKeyZLQJQUYWHDKNLN-UHFFFAOYSA-N
XLogP3.26
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,5-dimethoxyphenyl)methyl-methylamino]-3-methylbutan-1-ol
CID 115137582
3-(2,5-dimethoxyphenyl)-3-(dimethylamino)propan-1-ol
CID 83938229
3-[[4-(hydroxymethyl)phenyl]methyl-methylamino]-3-phenylpropan-1-ol
CID 110009129
2-(4-methoxyphenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]ethanol
CID 111122596
(3R)-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-3-phenylpropan-1-ol
CID 97159613
2-[(2,5-dimethoxyphenyl)methylsulfanyl]phenol
CID 62000126
(3R)-3-[(2,4-dimethoxyphenyl)methylamino]-3-phenylpropan-1-ol
CID 111449960
1-benzyl-1-[(2,5-dimethoxyphenyl)methyl]-3-[(1S)-1-phenylethyl]thiourea
CID 40599331
2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N,2-diphenylacetamide
CID 55471442
2-(3-hydroxy-1-phenylpropyl)-3,5-dimethoxyphenol
CID 25139966
2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-1-phenylethanol
CID 17442681
N-benzyl-1-(2,5-dimethoxyphenyl)-N-methylethane-1,2-diamine
CID 43822937

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethoxyphenyl)methyl-methylamino]-3-phenylpropan-1-ol?
The IUPAC name of 3-[(2,5-dimethoxyphenyl)methyl-methylamino]-3-phenylpropan-1-ol (CID 111489124) is 3-[(2,5-dimethoxyphenyl)methyl-methylamino]-3-phenylpropan-1-ol.
What is the SMILES notation for 3-[(2,5-dimethoxyphenyl)methyl-methylamino]-3-phenylpropan-1-ol?
The canonical SMILES for 3-[(2,5-dimethoxyphenyl)methyl-methylamino]-3-phenylpropan-1-ol is COc1ccc(OC)c(CN(C)C(CCO)c2ccccc2)c1.
What is the InChIKey of 3-[(2,5-dimethoxyphenyl)methyl-methylamino]-3-phenylpropan-1-ol?
The InChIKey is ZLQJQUYWHDKNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-20(18(11-12-21)15-7-5-4-6-8-15)14-16-13-17(22-2)9-10-19(16)23-3/h4-10,13,18,21H,11-12,14H2,1-3H3.
What are the key properties of 3-[(2,5-dimethoxyphenyl)methyl-methylamino]-3-phenylpropan-1-ol?
3-[(2,5-dimethoxyphenyl)methyl-methylamino]-3-phenylpropan-1-ol has a molecular weight of 315.41 g/mol, XLogP of 3.26, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethoxyphenyl)methyl-methylamino]-3-phenylpropan-1-ol is sourced from PubChem (CID 111489124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).