2-(4-methoxy-3-methylphenyl)-3-(3-methoxy-4-propoxyphenyl)propan-1-amine

C21H29NO3 — CID 83974029

IUPAC2-(4-methoxy-3-methylphenyl)-3-(3-methoxy-4-propoxyphenyl)propan-1-amine
SMILESCCCOc1ccc(CC(CN)c2ccc(OC)c(C)c2)cc1OC
InChIInChI=1S/C21H29NO3/c1-5-10-25-20-8-6-16(13-21(20)24-4)12-18(14-22)17-7-9-19(23-3)15(2)11-17/h6-9,11,13,18H,5,10,12,14,22H2,1-4H3
InChIKeySCIYSIAVSAECMP-UHFFFAOYSA-N
MW343.47 g/mol
LogP4.09
Rot. Bonds9

About 2-(4-methoxy-3-methylphenyl)-3-(3-methoxy-4-propoxyphenyl)propan-1-amine

2-(4-methoxy-3-methylphenyl)-3-(3-methoxy-4-propoxyphenyl)propan-1-amine (PubChem CID 83974029) has the molecular formula C21H29NO3 and a molecular weight of 343.47 g/mol. Its IUPAC name is 2-(4-methoxy-3-methylphenyl)-3-(3-methoxy-4-propoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(4-methoxy-3-methylphenyl)-3-(3-methoxy-4-propoxyphenyl)propan-1-amine
PubChem CID83974029
Molecular FormulaC21H29NO3
Molecular Weight343.47 g/mol
Exact Mass343.21
IUPAC Name2-(4-methoxy-3-methylphenyl)-3-(3-methoxy-4-propoxyphenyl)propan-1-amine
SMILESCCCOc1ccc(CC(CN)c2ccc(OC)c(C)c2)cc1OC
InChIInChI=1S/C21H29NO3/c1-5-10-25-20-8-6-16(13-21(20)24-4)12-18(14-22)17-7-9-19(23-3)15(2)11-17/h6-9,11,13,18H,5,10,12,14,22H2,1-4H3
InChIKeySCIYSIAVSAECMP-UHFFFAOYSA-N
XLogP4.09
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethylphenyl)-3-(4-methoxy-3-propoxyphenyl)propan-1-amine
CID 83977047
2-(3-methoxyphenyl)-3-(4-methoxy-3-propoxyphenyl)propan-1-amine
CID 83972587
4-[1-amino-3-(3-methoxy-4-pentoxyphenyl)propan-2-yl]phenol
CID 83975407
3-(4-ethoxy-3-methoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)propan-1-amine
CID 83973627
2-(3,4-difluorophenyl)-3-(3-ethoxy-4-propoxyphenyl)propan-1-amine
CID 112538891
3-(2-chlorophenyl)-2-(3-methyl-4-propoxyphenyl)propan-1-amine
CID 83974142
2-(2,4-dimethylphenyl)-3-(3-ethoxy-4-propoxyphenyl)propan-1-amine
CID 83972845
2-(3-methyl-4-propoxyphenyl)-3-naphthalen-1-ylpropan-1-amine
CID 83974158
2-[(3,4-dipropoxyphenyl)methyl]propane-1,3-diamine
CID 83931979
3-(3-ethoxy-4-methoxyphenyl)-2-(4-propan-2-ylphenyl)propan-1-amine
CID 83973107
3-(4-chlorophenyl)-2-(4-ethoxy-3-methylphenyl)propan-1-amine
CID 83974093
3-(4-ethoxy-3-methoxyphenyl)-2-(2-ethoxy-5-methylphenyl)propan-1-amine
CID 83974529

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-methylphenyl)-3-(3-methoxy-4-propoxyphenyl)propan-1-amine?
The IUPAC name of 2-(4-methoxy-3-methylphenyl)-3-(3-methoxy-4-propoxyphenyl)propan-1-amine (CID 83974029) is 2-(4-methoxy-3-methylphenyl)-3-(3-methoxy-4-propoxyphenyl)propan-1-amine.
What is the SMILES notation for 2-(4-methoxy-3-methylphenyl)-3-(3-methoxy-4-propoxyphenyl)propan-1-amine?
The canonical SMILES for 2-(4-methoxy-3-methylphenyl)-3-(3-methoxy-4-propoxyphenyl)propan-1-amine is CCCOc1ccc(CC(CN)c2ccc(OC)c(C)c2)cc1OC.
What is the InChIKey of 2-(4-methoxy-3-methylphenyl)-3-(3-methoxy-4-propoxyphenyl)propan-1-amine?
The InChIKey is SCIYSIAVSAECMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO3/c1-5-10-25-20-8-6-16(13-21(20)24-4)12-18(14-22)17-7-9-19(23-3)15(2)11-17/h6-9,11,13,18H,5,10,12,14,22H2,1-4H3.
What are the key properties of 2-(4-methoxy-3-methylphenyl)-3-(3-methoxy-4-propoxyphenyl)propan-1-amine?
2-(4-methoxy-3-methylphenyl)-3-(3-methoxy-4-propoxyphenyl)propan-1-amine has a molecular weight of 343.47 g/mol, XLogP of 4.09, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3-methylphenyl)-3-(3-methoxy-4-propoxyphenyl)propan-1-amine is sourced from PubChem (CID 83974029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).