3-(2,4-dimethoxyphenyl)-2-(3,5-dimethylphenyl)propan-1-amine

C19H25NO2 — CID 83977036

IUPAC3-(2,4-dimethoxyphenyl)-2-(3,5-dimethylphenyl)propan-1-amine
SMILESCOc1ccc(CC(CN)c2cc(C)cc(C)c2)c(OC)c1
InChIInChI=1S/C19H25NO2/c1-13-7-14(2)9-16(8-13)17(12-20)10-15-5-6-18(21-3)11-19(15)22-4/h5-9,11,17H,10,12,20H2,1-4H3
InChIKeyGCJJBKFADAKXDA-UHFFFAOYSA-N
MW299.41 g/mol
LogP3.61
Rot. Bonds6

About 3-(2,4-dimethoxyphenyl)-2-(3,5-dimethylphenyl)propan-1-amine

3-(2,4-dimethoxyphenyl)-2-(3,5-dimethylphenyl)propan-1-amine (PubChem CID 83977036) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-2-(3,5-dimethylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)-2-(3,5-dimethylphenyl)propan-1-amine
PubChem CID83977036
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name3-(2,4-dimethoxyphenyl)-2-(3,5-dimethylphenyl)propan-1-amine
SMILESCOc1ccc(CC(CN)c2cc(C)cc(C)c2)c(OC)c1
InChIInChI=1S/C19H25NO2/c1-13-7-14(2)9-16(8-13)17(12-20)10-15-5-6-18(21-3)11-19(15)22-4/h5-9,11,17H,10,12,20H2,1-4H3
InChIKeyGCJJBKFADAKXDA-UHFFFAOYSA-N
XLogP3.61
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenyl)-3-(2,4,5-trimethoxyphenyl)propan-1-amine
CID 83972538
3-(2,4-dimethoxyphenyl)-2-(2-ethoxyphenyl)propan-1-amine
CID 83974436
(2R)-1-(2,4-dimethoxyphenyl)propan-2-ol
CID 75406786
3-(2,4-dimethoxyphenyl)-2-pyrrolidin-1-ylpropan-1-amine
CID 112509444
2-(3,4-difluorophenyl)-3-(2,5-dimethoxyphenyl)propan-1-amine
CID 83973696
(2,4-dimethoxyphenyl)methanamine;4-methoxyaniline
CID 70411207
2-(3,5-dimethylphenyl)-3-(4-methoxy-3-propoxyphenyl)propan-1-amine
CID 83977047
3-(2,4-diethoxyphenyl)-2-(2-methoxyphenyl)propan-1-amine
CID 83974368
3-(2-bromo-5-methoxyphenyl)-2-(4-bromophenyl)propan-1-amine
CID 79437673
1-[bromo-(2,4-dimethoxyphenyl)methyl]-3,5-dimethylbenzene
CID 63441977
3-(3,5-dimethylphenyl)-2-(3-fluoro-4-methoxyphenyl)propan-1-amine
CID 83973653
2-(4-fluorophenyl)-3-(2,4,5-trimethoxyphenyl)propan-1-amine
CID 83973785

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)-2-(3,5-dimethylphenyl)propan-1-amine?
The IUPAC name of 3-(2,4-dimethoxyphenyl)-2-(3,5-dimethylphenyl)propan-1-amine (CID 83977036) is 3-(2,4-dimethoxyphenyl)-2-(3,5-dimethylphenyl)propan-1-amine.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-2-(3,5-dimethylphenyl)propan-1-amine?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)-2-(3,5-dimethylphenyl)propan-1-amine is COc1ccc(CC(CN)c2cc(C)cc(C)c2)c(OC)c1.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)-2-(3,5-dimethylphenyl)propan-1-amine?
The InChIKey is GCJJBKFADAKXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-13-7-14(2)9-16(8-13)17(12-20)10-15-5-6-18(21-3)11-19(15)22-4/h5-9,11,17H,10,12,20H2,1-4H3.
What are the key properties of 3-(2,4-dimethoxyphenyl)-2-(3,5-dimethylphenyl)propan-1-amine?
3-(2,4-dimethoxyphenyl)-2-(3,5-dimethylphenyl)propan-1-amine has a molecular weight of 299.41 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyphenyl)-2-(3,5-dimethylphenyl)propan-1-amine is sourced from PubChem (CID 83977036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).