N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1-methoxy-3-methylbutan-2-amine

C17H29NO3 — CID 65047306

IUPACN-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1-methoxy-3-methylbutan-2-amine
SMILESCOCC(NC(C)Cc1ccc(OC)c(OC)c1)C(C)C
InChIInChI=1S/C17H29NO3/c1-12(2)15(11-19-4)18-13(3)9-14-7-8-16(20-5)17(10-14)21-6/h7-8,10,12-13,15,18H,9,11H2,1-6H3
InChIKeyGTQMNRNKDSYSJR-UHFFFAOYSA-N
MW295.42 g/mol
LogP2.90
Rot. Bonds9

About N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1-methoxy-3-methylbutan-2-amine

N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1-methoxy-3-methylbutan-2-amine (PubChem CID 65047306) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1-methoxy-3-methylbutan-2-amine.

Molecular Properties

Compound NameN-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1-methoxy-3-methylbutan-2-amine
PubChem CID65047306
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC NameN-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1-methoxy-3-methylbutan-2-amine
SMILESCOCC(NC(C)Cc1ccc(OC)c(OC)c1)C(C)C
InChIInChI=1S/C17H29NO3/c1-12(2)15(11-19-4)18-13(3)9-14-7-8-16(20-5)17(10-14)21-6/h7-8,10,12-13,15,18H,9,11H2,1-6H3
InChIKeyGTQMNRNKDSYSJR-UHFFFAOYSA-N
XLogP2.90
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methoxy-N-[1-(4-methoxyphenyl)propan-2-yl]-3-methylbutan-2-amine
CID 65047513
4-[(2R,3R)-4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-1,2-dimethoxybenzene
CID 515707
1-(3,4-dimethoxyphenyl)-N-[2-(2-methylpropoxy)ethyl]propan-2-amine
CID 115713699
2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]propanamide
CID 43545329
1-(3,4-dimethoxyphenyl)-N-propylpropan-2-amine
CID 43200450
1-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]propan-2-ol
CID 43499278
1-(3,4-dimethoxyphenyl)-N-prop-2-ynylpropan-2-amine
CID 43200513
N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-2,2-dimethylpropanamide
CID 139749507
3-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]pentanenitrile
CID 62647467
3-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]-2-methylsulfanylbutan-1-ol
CID 103785160
N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-2-methoxy-2-methylpropan-1-amine
CID 115728675
4-bromo-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]aniline
CID 43101384

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1-methoxy-3-methylbutan-2-amine?
The IUPAC name of N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1-methoxy-3-methylbutan-2-amine (CID 65047306) is N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1-methoxy-3-methylbutan-2-amine.
What is the SMILES notation for N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1-methoxy-3-methylbutan-2-amine?
The canonical SMILES for N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1-methoxy-3-methylbutan-2-amine is COCC(NC(C)Cc1ccc(OC)c(OC)c1)C(C)C.
What is the InChIKey of N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1-methoxy-3-methylbutan-2-amine?
The InChIKey is GTQMNRNKDSYSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-12(2)15(11-19-4)18-13(3)9-14-7-8-16(20-5)17(10-14)21-6/h7-8,10,12-13,15,18H,9,11H2,1-6H3.
What are the key properties of N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1-methoxy-3-methylbutan-2-amine?
N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1-methoxy-3-methylbutan-2-amine has a molecular weight of 295.42 g/mol, XLogP of 2.90, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1-methoxy-3-methylbutan-2-amine is sourced from PubChem (CID 65047306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).