1-(2-methoxy-3,4-dimethylphenyl)-2-methyl-N-propylpentan-1-amine

C18H31NO — CID 103435219

IUPAC1-(2-methoxy-3,4-dimethylphenyl)-2-methyl-N-propylpentan-1-amine
SMILESCCCNC(c1ccc(C)c(C)c1OC)C(C)CCC
InChIInChI=1S/C18H31NO/c1-7-9-14(4)17(19-12-8-2)16-11-10-13(3)15(5)18(16)20-6/h10-11,14,17,19H,7-9,12H2,1-6H3
InChIKeyDDDXLTCPYJNEFC-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.79
Rot. Bonds8

About 1-(2-methoxy-3,4-dimethylphenyl)-2-methyl-N-propylpentan-1-amine

1-(2-methoxy-3,4-dimethylphenyl)-2-methyl-N-propylpentan-1-amine (PubChem CID 103435219) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 1-(2-methoxy-3,4-dimethylphenyl)-2-methyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(2-methoxy-3,4-dimethylphenyl)-2-methyl-N-propylpentan-1-amine
PubChem CID103435219
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name1-(2-methoxy-3,4-dimethylphenyl)-2-methyl-N-propylpentan-1-amine
SMILESCCCNC(c1ccc(C)c(C)c1OC)C(C)CCC
InChIInChI=1S/C18H31NO/c1-7-9-14(4)17(19-12-8-2)16-11-10-13(3)15(5)18(16)20-6/h10-11,14,17,19H,7-9,12H2,1-6H3
InChIKeyDDDXLTCPYJNEFC-UHFFFAOYSA-N
XLogP4.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2,2-difluoro-1-(2-methoxy-3,4-dimethylphenyl)ethyl]propan-1-amine
CID 103517310
1-(4-methoxy-2-methylphenyl)-2-methyl-N-propylpentan-1-amine
CID 43495595
1-(2,4-dimethoxyphenyl)-2-methyl-N-propylpentan-1-amine
CID 43496056
1-(2-methoxy-3,4-dimethylphenyl)-N-methylbutan-1-amine
CID 103433382
2-methyl-N-propyl-1-(2,3,4-trimethoxyphenyl)butan-1-amine
CID 43589090
1-(2-bromo-4-methoxyphenyl)-2-methyl-N-propylpentan-1-amine
CID 54920126
N-[2,2,2-trifluoro-1-(2-methoxy-3,4-dimethylphenyl)ethyl]propan-1-amine
CID 103435635
1-(4-bromo-2-methylphenyl)-2-methyl-N-propylpentan-1-amine
CID 114013519
1-(2-chloro-4-methoxyphenyl)-2-methyl-N-propylpentan-1-amine
CID 43562163
N-[1-(2-methoxy-3,4-dimethylphenyl)-2-(2-methylpropylsulfanyl)ethyl]propan-1-amine
CID 103433571
N-[(2-methoxy-3,4-dimethylphenyl)-pyridin-4-ylmethyl]propan-1-amine
CID 103433341
1-(4-methoxyphenyl)-2-methyl-N-propylpentan-1-amine
CID 43494981

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-3,4-dimethylphenyl)-2-methyl-N-propylpentan-1-amine?
The IUPAC name of 1-(2-methoxy-3,4-dimethylphenyl)-2-methyl-N-propylpentan-1-amine (CID 103435219) is 1-(2-methoxy-3,4-dimethylphenyl)-2-methyl-N-propylpentan-1-amine.
What is the SMILES notation for 1-(2-methoxy-3,4-dimethylphenyl)-2-methyl-N-propylpentan-1-amine?
The canonical SMILES for 1-(2-methoxy-3,4-dimethylphenyl)-2-methyl-N-propylpentan-1-amine is CCCNC(c1ccc(C)c(C)c1OC)C(C)CCC.
What is the InChIKey of 1-(2-methoxy-3,4-dimethylphenyl)-2-methyl-N-propylpentan-1-amine?
The InChIKey is DDDXLTCPYJNEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-7-9-14(4)17(19-12-8-2)16-11-10-13(3)15(5)18(16)20-6/h10-11,14,17,19H,7-9,12H2,1-6H3.
What are the key properties of 1-(2-methoxy-3,4-dimethylphenyl)-2-methyl-N-propylpentan-1-amine?
1-(2-methoxy-3,4-dimethylphenyl)-2-methyl-N-propylpentan-1-amine has a molecular weight of 277.45 g/mol, XLogP of 4.79, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-3,4-dimethylphenyl)-2-methyl-N-propylpentan-1-amine is sourced from PubChem (CID 103435219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).