1-(4-methoxyphenyl)-2-methyl-N-propylpentan-1-amine

C16H27NO — CID 43494981

IUPAC1-(4-methoxyphenyl)-2-methyl-N-propylpentan-1-amine
SMILESCCCNC(c1ccc(OC)cc1)C(C)CCC
InChIInChI=1S/C16H27NO/c1-5-7-13(3)16(17-12-6-2)14-8-10-15(18-4)11-9-14/h8-11,13,16-17H,5-7,12H2,1-4H3
InChIKeyPZPRHPPHCBYMJK-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.17
Rot. Bonds8

About 1-(4-methoxyphenyl)-2-methyl-N-propylpentan-1-amine

1-(4-methoxyphenyl)-2-methyl-N-propylpentan-1-amine (PubChem CID 43494981) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-methyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-methyl-N-propylpentan-1-amine
PubChem CID43494981
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name1-(4-methoxyphenyl)-2-methyl-N-propylpentan-1-amine
SMILESCCCNC(c1ccc(OC)cc1)C(C)CCC
InChIInChI=1S/C16H27NO/c1-5-7-13(3)16(17-12-6-2)14-8-10-15(18-4)11-9-14/h8-11,13,16-17H,5-7,12H2,1-4H3
InChIKeyPZPRHPPHCBYMJK-UHFFFAOYSA-N
XLogP4.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-(4-propan-2-ylphenyl)-N-propylpentan-1-amine
CID 43625521
2-methoxy-1-(4-methoxyphenyl)-N-propylpentan-1-amine
CID 116719309
1-(2,4-dimethoxyphenyl)-2-methyl-N-propylpentan-1-amine
CID 43496056
2-ethylsulfonyl-1-(4-methoxyphenyl)-N-propylpropan-1-amine
CID 64647568
1-(4-methoxy-2-methylphenyl)-2-methyl-N-propylpentan-1-amine
CID 43495595
1-(2-bromo-4-methoxyphenyl)-2-methyl-N-propylpentan-1-amine
CID 54920126
1-(4-methoxyphenyl)-2-(3-methylbutan-2-ylsulfanyl)-N-propylpropan-1-amine
CID 107763220
1-(2-chloro-4-methoxyphenyl)-2-methyl-N-propylpentan-1-amine
CID 43562163
1-(4-ethoxyphenyl)-N-ethyl-2-methylpentan-1-amine
CID 43489418
1-(2,6-difluoro-4-methoxyphenyl)-2-methyl-N-propylpentan-1-amine
CID 63502557
N-ethyl-1-(4-methoxyphenyl)-2-propylpentan-1-amine
CID 82985129
1-(2,6-dimethoxyphenyl)-2-methyl-N-propylpentan-1-amine
CID 105052111

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-methyl-N-propylpentan-1-amine?
The IUPAC name of 1-(4-methoxyphenyl)-2-methyl-N-propylpentan-1-amine (CID 43494981) is 1-(4-methoxyphenyl)-2-methyl-N-propylpentan-1-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-methyl-N-propylpentan-1-amine?
The canonical SMILES for 1-(4-methoxyphenyl)-2-methyl-N-propylpentan-1-amine is CCCNC(c1ccc(OC)cc1)C(C)CCC.
What is the InChIKey of 1-(4-methoxyphenyl)-2-methyl-N-propylpentan-1-amine?
The InChIKey is PZPRHPPHCBYMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-5-7-13(3)16(17-12-6-2)14-8-10-15(18-4)11-9-14/h8-11,13,16-17H,5-7,12H2,1-4H3.
What are the key properties of 1-(4-methoxyphenyl)-2-methyl-N-propylpentan-1-amine?
1-(4-methoxyphenyl)-2-methyl-N-propylpentan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 4.17, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-methyl-N-propylpentan-1-amine is sourced from PubChem (CID 43494981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).