3-(3-butoxy-4-methoxyphenyl)-2-(2-methoxyphenyl)propan-1-amine

C21H29NO3 — CID 83974356

IUPAC3-(3-butoxy-4-methoxyphenyl)-2-(2-methoxyphenyl)propan-1-amine
SMILESCCCCOc1cc(CC(CN)c2ccccc2OC)ccc1OC
InChIInChI=1S/C21H29NO3/c1-4-5-12-25-21-14-16(10-11-20(21)24-3)13-17(15-22)18-8-6-7-9-19(18)23-2/h6-11,14,17H,4-5,12-13,15,22H2,1-3H3
InChIKeyGILVJYTYCHYOJT-UHFFFAOYSA-N
MW343.47 g/mol
LogP4.17
Rot. Bonds10

About 3-(3-butoxy-4-methoxyphenyl)-2-(2-methoxyphenyl)propan-1-amine

3-(3-butoxy-4-methoxyphenyl)-2-(2-methoxyphenyl)propan-1-amine (PubChem CID 83974356) has the molecular formula C21H29NO3 and a molecular weight of 343.47 g/mol. Its IUPAC name is 3-(3-butoxy-4-methoxyphenyl)-2-(2-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(3-butoxy-4-methoxyphenyl)-2-(2-methoxyphenyl)propan-1-amine
PubChem CID83974356
Molecular FormulaC21H29NO3
Molecular Weight343.47 g/mol
Exact Mass343.21
IUPAC Name3-(3-butoxy-4-methoxyphenyl)-2-(2-methoxyphenyl)propan-1-amine
SMILESCCCCOc1cc(CC(CN)c2ccccc2OC)ccc1OC
InChIInChI=1S/C21H29NO3/c1-4-5-12-25-21-14-16(10-11-20(21)24-3)13-17(15-22)18-8-6-7-9-19(18)23-2/h6-11,14,17H,4-5,12-13,15,22H2,1-3H3
InChIKeyGILVJYTYCHYOJT-UHFFFAOYSA-N
XLogP4.17
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3-butoxy-4-methoxyphenyl)-2-(2,4-dimethylphenyl)propan-1-amine
CID 83972849
4-[3-amino-2-(2-methoxyphenyl)propyl]-2-methoxyphenol
CID 83974353
3-(3-butoxyphenyl)-2-(2-ethoxyphenyl)propan-1-amine
CID 83974462
3-(3-butoxy-4-methoxyphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-1-amine
CID 112539221
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
3-(3,4-diethoxyphenyl)-2-(2-methoxy-5-methylphenyl)propan-1-amine
CID 83974597
2-(2-methoxyphenyl)hexan-1-amine
CID 84753039
1-(4-methoxy-3-pentoxyphenyl)propan-2-amine
CID 54929182
2-(4-methoxy-3-pentoxyphenyl)ethanamine
CID 11096640
4-[1-amino-3-(3-methoxy-4-pentoxyphenyl)propan-2-yl]phenol
CID 83975407
3-(3-ethoxy-4-methoxyphenyl)-2-(4-propan-2-ylphenyl)propan-1-amine
CID 83973107

Frequently Asked Questions

What is the IUPAC name of 3-(3-butoxy-4-methoxyphenyl)-2-(2-methoxyphenyl)propan-1-amine?
The IUPAC name of 3-(3-butoxy-4-methoxyphenyl)-2-(2-methoxyphenyl)propan-1-amine (CID 83974356) is 3-(3-butoxy-4-methoxyphenyl)-2-(2-methoxyphenyl)propan-1-amine.
What is the SMILES notation for 3-(3-butoxy-4-methoxyphenyl)-2-(2-methoxyphenyl)propan-1-amine?
The canonical SMILES for 3-(3-butoxy-4-methoxyphenyl)-2-(2-methoxyphenyl)propan-1-amine is CCCCOc1cc(CC(CN)c2ccccc2OC)ccc1OC.
What is the InChIKey of 3-(3-butoxy-4-methoxyphenyl)-2-(2-methoxyphenyl)propan-1-amine?
The InChIKey is GILVJYTYCHYOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO3/c1-4-5-12-25-21-14-16(10-11-20(21)24-3)13-17(15-22)18-8-6-7-9-19(18)23-2/h6-11,14,17H,4-5,12-13,15,22H2,1-3H3.
What are the key properties of 3-(3-butoxy-4-methoxyphenyl)-2-(2-methoxyphenyl)propan-1-amine?
3-(3-butoxy-4-methoxyphenyl)-2-(2-methoxyphenyl)propan-1-amine has a molecular weight of 343.47 g/mol, XLogP of 4.17, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-butoxy-4-methoxyphenyl)-2-(2-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 83974356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).