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

C16H27NO3 — CID 115728675

IUPACN-[1-(3,4-dimethoxyphenyl)propan-2-yl]-2-methoxy-2-methylpropan-1-amine
SMILESCOc1ccc(CC(C)NCC(C)(C)OC)cc1OC
InChIInChI=1S/C16H27NO3/c1-12(17-11-16(2,3)20-6)9-13-7-8-14(18-4)15(10-13)19-5/h7-8,10,12,17H,9,11H2,1-6H3
InChIKeyDZGSESSPBCRCIN-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.65
Rot. Bonds8

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

N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-2-methoxy-2-methylpropan-1-amine (PubChem CID 115728675) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-2-methoxy-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(3,4-dimethoxyphenyl)propan-2-yl]-2-methoxy-2-methylpropan-1-amine
PubChem CID115728675
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC NameN-[1-(3,4-dimethoxyphenyl)propan-2-yl]-2-methoxy-2-methylpropan-1-amine
SMILESCOc1ccc(CC(C)NCC(C)(C)OC)cc1OC
InChIInChI=1S/C16H27NO3/c1-12(17-11-16(2,3)20-6)9-13-7-8-14(18-4)15(10-13)19-5/h7-8,10,12,17H,9,11H2,1-6H3
InChIKeyDZGSESSPBCRCIN-UHFFFAOYSA-N
XLogP2.65
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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]-3,3,3-trifluoropropan-1-amine
CID 63225927
N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-N',N'-dimethylpropane-1,3-diamine
CID 43201516
N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-2,2-dimethylpropanamide
CID 139749507
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
1-(3,4-dimethoxyphenyl)-N-(2-methylsulfinylethyl)propan-2-amine
CID 115720737
1-(3,4-dimethoxyphenyl)-N-(2-methylsulfinylpropyl)propan-2-amine
CID 115896106
N-[2-(azepan-1-yl)ethyl]-1-(3,4-dimethoxyphenyl)propan-2-amine
CID 119164926
(1R)-2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]-1-(3-methylphenyl)ethanol
CID 70005638

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-2-methoxy-2-methylpropan-1-amine?
The IUPAC name of N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-2-methoxy-2-methylpropan-1-amine (CID 115728675) is N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-2-methoxy-2-methylpropan-1-amine.
What is the SMILES notation for N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-2-methoxy-2-methylpropan-1-amine?
The canonical SMILES for N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-2-methoxy-2-methylpropan-1-amine is COc1ccc(CC(C)NCC(C)(C)OC)cc1OC.
What is the InChIKey of N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-2-methoxy-2-methylpropan-1-amine?
The InChIKey is DZGSESSPBCRCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-12(17-11-16(2,3)20-6)9-13-7-8-14(18-4)15(10-13)19-5/h7-8,10,12,17H,9,11H2,1-6H3.
What are the key properties of N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-2-methoxy-2-methylpropan-1-amine?
N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-2-methoxy-2-methylpropan-1-amine has a molecular weight of 281.40 g/mol, XLogP of 2.65, 8 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]-2-methoxy-2-methylpropan-1-amine is sourced from PubChem (CID 115728675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).