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

C21H29NO2 — CID 83977047

IUPAC2-(3,5-dimethylphenyl)-3-(4-methoxy-3-propoxyphenyl)propan-1-amine
SMILESCCCOc1cc(CC(CN)c2cc(C)cc(C)c2)ccc1OC
InChIInChI=1S/C21H29NO2/c1-5-8-24-21-13-17(6-7-20(21)23-4)12-19(14-22)18-10-15(2)9-16(3)11-18/h6-7,9-11,13,19H,5,8,12,14,22H2,1-4H3
InChIKeyFRLWIRGOVDNJAB-UHFFFAOYSA-N
MW327.47 g/mol
LogP4.39
Rot. Bonds8

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

2-(3,5-dimethylphenyl)-3-(4-methoxy-3-propoxyphenyl)propan-1-amine (PubChem CID 83977047) has the molecular formula C21H29NO2 and a molecular weight of 327.47 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-3-(4-methoxy-3-propoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-3-(4-methoxy-3-propoxyphenyl)propan-1-amine
PubChem CID83977047
Molecular FormulaC21H29NO2
Molecular Weight327.47 g/mol
Exact Mass327.22
IUPAC Name2-(3,5-dimethylphenyl)-3-(4-methoxy-3-propoxyphenyl)propan-1-amine
SMILESCCCOc1cc(CC(CN)c2cc(C)cc(C)c2)ccc1OC
InChIInChI=1S/C21H29NO2/c1-5-8-24-21-13-17(6-7-20(21)23-4)12-19(14-22)18-10-15(2)9-16(3)11-18/h6-7,9-11,13,19H,5,8,12,14,22H2,1-4H3
InChIKeyFRLWIRGOVDNJAB-UHFFFAOYSA-N
XLogP4.39
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxyphenyl)-3-(4-methoxy-3-propoxyphenyl)propan-1-amine
CID 83972587
2-(4-methoxy-3-methylphenyl)-3-(3-methoxy-4-propoxyphenyl)propan-1-amine
CID 83974029
3-(3-butoxy-4-methoxyphenyl)-2-(2,4-dimethylphenyl)propan-1-amine
CID 83972849
3-(3-butoxy-4-methoxyphenyl)-2-(2-methoxyphenyl)propan-1-amine
CID 83974356
3-(3-ethoxy-4-methoxyphenyl)-2-(4-propan-2-ylphenyl)propan-1-amine
CID 83973107
3-(3-chloro-4-ethoxyphenyl)-2-(3,5-dimethylphenyl)propan-1-amine
CID 83977058
2-(2,4-dimethylphenyl)-3-(3-ethoxy-4-propoxyphenyl)propan-1-amine
CID 83972845
2-(3,4-difluorophenyl)-3-(3-ethoxy-4-propoxyphenyl)propan-1-amine
CID 112538891
4-[1-amino-3-(3-methoxy-4-pentoxyphenyl)propan-2-yl]phenol
CID 83975407
2-[(3,4-dipropoxyphenyl)methyl]propane-1,3-diamine
CID 83931979
3-(3,4-diethoxyphenyl)-2-(2-methoxy-5-methylphenyl)propan-1-amine
CID 83974597
2-(2-methoxy-5-methylphenyl)-3-(4-propoxyphenyl)propan-1-amine
CID 83974613

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-3-(4-methoxy-3-propoxyphenyl)propan-1-amine?
The IUPAC name of 2-(3,5-dimethylphenyl)-3-(4-methoxy-3-propoxyphenyl)propan-1-amine (CID 83977047) is 2-(3,5-dimethylphenyl)-3-(4-methoxy-3-propoxyphenyl)propan-1-amine.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-3-(4-methoxy-3-propoxyphenyl)propan-1-amine?
The canonical SMILES for 2-(3,5-dimethylphenyl)-3-(4-methoxy-3-propoxyphenyl)propan-1-amine is CCCOc1cc(CC(CN)c2cc(C)cc(C)c2)ccc1OC.
What is the InChIKey of 2-(3,5-dimethylphenyl)-3-(4-methoxy-3-propoxyphenyl)propan-1-amine?
The InChIKey is FRLWIRGOVDNJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO2/c1-5-8-24-21-13-17(6-7-20(21)23-4)12-19(14-22)18-10-15(2)9-16(3)11-18/h6-7,9-11,13,19H,5,8,12,14,22H2,1-4H3.
What are the key properties of 2-(3,5-dimethylphenyl)-3-(4-methoxy-3-propoxyphenyl)propan-1-amine?
2-(3,5-dimethylphenyl)-3-(4-methoxy-3-propoxyphenyl)propan-1-amine has a molecular weight of 327.47 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-3-(4-methoxy-3-propoxyphenyl)propan-1-amine is sourced from PubChem (CID 83977047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).