2-methoxy-1-(4-methoxy-2-methylphenyl)-N-propylpentan-1-amine

C17H29NO2 — CID 116719567

IUPAC2-methoxy-1-(4-methoxy-2-methylphenyl)-N-propylpentan-1-amine
SMILESCCCNC(c1ccc(OC)cc1C)C(CCC)OC
InChIInChI=1S/C17H29NO2/c1-6-8-16(20-5)17(18-11-7-2)15-10-9-14(19-4)12-13(15)3/h9-10,12,16-18H,6-8,11H2,1-5H3
InChIKeyWVEVDVLTWMFQBB-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.86
Rot. Bonds9

About 2-methoxy-1-(4-methoxy-2-methylphenyl)-N-propylpentan-1-amine

2-methoxy-1-(4-methoxy-2-methylphenyl)-N-propylpentan-1-amine (PubChem CID 116719567) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 2-methoxy-1-(4-methoxy-2-methylphenyl)-N-propylpentan-1-amine.

Molecular Properties

Compound Name2-methoxy-1-(4-methoxy-2-methylphenyl)-N-propylpentan-1-amine
PubChem CID116719567
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name2-methoxy-1-(4-methoxy-2-methylphenyl)-N-propylpentan-1-amine
SMILESCCCNC(c1ccc(OC)cc1C)C(CCC)OC
InChIInChI=1S/C17H29NO2/c1-6-8-16(20-5)17(18-11-7-2)15-10-9-14(19-4)12-13(15)3/h9-10,12,16-18H,6-8,11H2,1-5H3
InChIKeyWVEVDVLTWMFQBB-UHFFFAOYSA-N
XLogP3.86
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxy-2-methylphenyl)-N,2-dipropylpentan-1-amine
CID 82984646
1-(4-methoxy-2-methylphenyl)-2-methyl-N-propylpentan-1-amine
CID 43495595
2-methoxy-1-(4-methoxyphenyl)-N-propylpentan-1-amine
CID 116719309
1-(4-methoxy-2-methylphenyl)-2,2-dimethyl-N-propylbutan-1-amine
CID 63503187
1-(2,4-dimethoxyphenyl)-2-methoxy-N-methylpentan-1-amine
CID 116718984
1-(2,4-dimethoxyphenyl)-2-methyl-N-propylpentan-1-amine
CID 43496056
N-[(2,5-dimethylfuran-3-yl)-(4-methoxy-2-methylphenyl)methyl]propan-1-amine
CID 43495573
1-(2-bromo-4-methoxyphenyl)-2-methyl-N-propylpentan-1-amine
CID 54920126
N-[furan-2-yl-(4-methoxy-2-methylphenyl)methyl]propan-1-amine
CID 43495568
1-(4-methoxy-2-methylphenyl)-3,4,4-trimethyl-N-propylpentan-1-amine
CID 63832189
1-(4-methoxy-2-methylphenyl)butan-1-amine
CID 43198786
1-(2-chloro-4-methoxyphenyl)-2-methyl-N-propylpentan-1-amine
CID 43562163

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(4-methoxy-2-methylphenyl)-N-propylpentan-1-amine?
The IUPAC name of 2-methoxy-1-(4-methoxy-2-methylphenyl)-N-propylpentan-1-amine (CID 116719567) is 2-methoxy-1-(4-methoxy-2-methylphenyl)-N-propylpentan-1-amine.
What is the SMILES notation for 2-methoxy-1-(4-methoxy-2-methylphenyl)-N-propylpentan-1-amine?
The canonical SMILES for 2-methoxy-1-(4-methoxy-2-methylphenyl)-N-propylpentan-1-amine is CCCNC(c1ccc(OC)cc1C)C(CCC)OC.
What is the InChIKey of 2-methoxy-1-(4-methoxy-2-methylphenyl)-N-propylpentan-1-amine?
The InChIKey is WVEVDVLTWMFQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-6-8-16(20-5)17(18-11-7-2)15-10-9-14(19-4)12-13(15)3/h9-10,12,16-18H,6-8,11H2,1-5H3.
What are the key properties of 2-methoxy-1-(4-methoxy-2-methylphenyl)-N-propylpentan-1-amine?
2-methoxy-1-(4-methoxy-2-methylphenyl)-N-propylpentan-1-amine has a molecular weight of 279.42 g/mol, XLogP of 3.86, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(4-methoxy-2-methylphenyl)-N-propylpentan-1-amine is sourced from PubChem (CID 116719567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).