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

C17H29NO — CID 43495595

IUPAC1-(4-methoxy-2-methylphenyl)-2-methyl-N-propylpentan-1-amine
SMILESCCCNC(c1ccc(OC)cc1C)C(C)CCC
InChIInChI=1S/C17H29NO/c1-6-8-13(3)17(18-11-7-2)16-10-9-15(19-5)12-14(16)4/h9-10,12-13,17-18H,6-8,11H2,1-5H3
InChIKeyTVBDSAAJXBVPHO-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.48
Rot. Bonds8

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

1-(4-methoxy-2-methylphenyl)-2-methyl-N-propylpentan-1-amine (PubChem CID 43495595) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 1-(4-methoxy-2-methylphenyl)-2-methyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(4-methoxy-2-methylphenyl)-2-methyl-N-propylpentan-1-amine
PubChem CID43495595
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name1-(4-methoxy-2-methylphenyl)-2-methyl-N-propylpentan-1-amine
SMILESCCCNC(c1ccc(OC)cc1C)C(C)CCC
InChIInChI=1S/C17H29NO/c1-6-8-13(3)17(18-11-7-2)16-10-9-15(19-5)12-14(16)4/h9-10,12-13,17-18H,6-8,11H2,1-5H3
InChIKeyTVBDSAAJXBVPHO-UHFFFAOYSA-N
XLogP4.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dimethoxyphenyl)-2-methyl-N-propylpentan-1-amine
CID 43496056
1-(4-methoxy-2-methylphenyl)-N,2-dipropylpentan-1-amine
CID 82984646
1-(2-bromo-4-methoxyphenyl)-2-methyl-N-propylpentan-1-amine
CID 54920126
1-(2-chloro-4-methoxyphenyl)-2-methyl-N-propylpentan-1-amine
CID 43562163
2-methoxy-1-(4-methoxy-2-methylphenyl)-N-propylpentan-1-amine
CID 116719567
1-(4-bromo-2-methylphenyl)-2-methyl-N-propylpentan-1-amine
CID 114013519
N-ethyl-1-(4-methoxy-2-methylphenyl)-2-methylbutan-1-amine
CID 43490085
1-(2-methoxy-3,4-dimethylphenyl)-2-methyl-N-propylpentan-1-amine
CID 103435219
1-(4-methoxyphenyl)-2-methyl-N-propylpentan-1-amine
CID 43494981
1-(4-methoxy-2-methylphenyl)-2-methylpentan-1-amine
CID 43210161
1-(2-chloro-4-methoxyphenyl)-N-ethyl-2-methylpentan-1-amine
CID 43562095
N-[furan-2-yl-(4-methoxy-2-methylphenyl)methyl]propan-1-amine
CID 43495568

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2-methylphenyl)-2-methyl-N-propylpentan-1-amine?
The IUPAC name of 1-(4-methoxy-2-methylphenyl)-2-methyl-N-propylpentan-1-amine (CID 43495595) is 1-(4-methoxy-2-methylphenyl)-2-methyl-N-propylpentan-1-amine.
What is the SMILES notation for 1-(4-methoxy-2-methylphenyl)-2-methyl-N-propylpentan-1-amine?
The canonical SMILES for 1-(4-methoxy-2-methylphenyl)-2-methyl-N-propylpentan-1-amine is CCCNC(c1ccc(OC)cc1C)C(C)CCC.
What is the InChIKey of 1-(4-methoxy-2-methylphenyl)-2-methyl-N-propylpentan-1-amine?
The InChIKey is TVBDSAAJXBVPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-6-8-13(3)17(18-11-7-2)16-10-9-15(19-5)12-14(16)4/h9-10,12-13,17-18H,6-8,11H2,1-5H3.
What are the key properties of 1-(4-methoxy-2-methylphenyl)-2-methyl-N-propylpentan-1-amine?
1-(4-methoxy-2-methylphenyl)-2-methyl-N-propylpentan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 4.48, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2-methylphenyl)-2-methyl-N-propylpentan-1-amine is sourced from PubChem (CID 43495595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).