1-(3,4-dimethoxyphenyl)-2-methyl-N-propylhexan-3-amine

C18H31NO2 — CID 83052232

IUPAC1-(3,4-dimethoxyphenyl)-2-methyl-N-propylhexan-3-amine
SMILESCCCNC(CCC)C(C)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C18H31NO2/c1-6-8-16(19-11-7-2)14(3)12-15-9-10-17(20-4)18(13-15)21-5/h9-10,13-14,16,19H,6-8,11-12H2,1-5H3
InChIKeyDHAUCFYNHXEOPN-UHFFFAOYSA-N
MW293.45 g/mol
LogP4.05
Rot. Bonds10

About 1-(3,4-dimethoxyphenyl)-2-methyl-N-propylhexan-3-amine

1-(3,4-dimethoxyphenyl)-2-methyl-N-propylhexan-3-amine (PubChem CID 83052232) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-2-methyl-N-propylhexan-3-amine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-2-methyl-N-propylhexan-3-amine
PubChem CID83052232
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name1-(3,4-dimethoxyphenyl)-2-methyl-N-propylhexan-3-amine
SMILESCCCNC(CCC)C(C)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C18H31NO2/c1-6-8-16(19-11-7-2)14(3)12-15-9-10-17(20-4)18(13-15)21-5/h9-10,13-14,16,19H,6-8,11-12H2,1-5H3
InChIKeyDHAUCFYNHXEOPN-UHFFFAOYSA-N
XLogP4.05
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethoxyphenyl)-N-propylpropan-2-amine
CID 43200450
1-(3,4-dimethoxyphenyl)-4-methyl-N-propylpentan-2-amine
CID 60865170
4-[(2R,3R)-4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-1,2-dimethoxybenzene
CID 515707
3-ethoxy-1-(3-fluoro-4-methoxyphenyl)-N-propylbutan-2-amine
CID 64532602
1-(3-bromo-4-methoxyphenyl)-3-methoxy-N-propylbutan-2-amine
CID 79616476
methyl 4-(3,4-dimethoxyphenyl)-3-(propylamino)butanoate
CID 82351427
1-(3,4-dimethoxyphenyl)-3-propylhexan-2-amine
CID 82987406
4-(3-chloro-2-methylpentyl)-1,2-dimethoxybenzene
CID 79307803
N-[(4-methoxy-3-pentan-2-yloxyphenyl)methyl]propan-1-amine
CID 107890766
1-(3,4-dimethoxyphenyl)-N-propylbutan-1-amine
CID 43494599
1-cyclobutyl-3-(3,4-dimethoxyphenyl)-N-propylpropan-2-amine
CID 65458593
1-(3-fluoro-4-methoxyphenyl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine
CID 65131905

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-2-methyl-N-propylhexan-3-amine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-2-methyl-N-propylhexan-3-amine (CID 83052232) is 1-(3,4-dimethoxyphenyl)-2-methyl-N-propylhexan-3-amine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-2-methyl-N-propylhexan-3-amine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-2-methyl-N-propylhexan-3-amine is CCCNC(CCC)C(C)Cc1ccc(OC)c(OC)c1.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-2-methyl-N-propylhexan-3-amine?
The InChIKey is DHAUCFYNHXEOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-6-8-16(19-11-7-2)14(3)12-15-9-10-17(20-4)18(13-15)21-5/h9-10,13-14,16,19H,6-8,11-12H2,1-5H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-2-methyl-N-propylhexan-3-amine?
1-(3,4-dimethoxyphenyl)-2-methyl-N-propylhexan-3-amine has a molecular weight of 293.45 g/mol, XLogP of 4.05, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-2-methyl-N-propylhexan-3-amine is sourced from PubChem (CID 83052232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).