1-(4-methoxyphenyl)-5-methyl-N-propylhexan-1-amine

C17H29NO — CID 83161012

IUPAC1-(4-methoxyphenyl)-5-methyl-N-propylhexan-1-amine
SMILESCCCNC(CCCC(C)C)c1ccc(OC)cc1
InChIInChI=1S/C17H29NO/c1-5-13-18-17(8-6-7-14(2)3)15-9-11-16(19-4)12-10-15/h9-12,14,17-18H,5-8,13H2,1-4H3
InChIKeyJXTQPXPAUDPPKK-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.56
Rot. Bonds9

About 1-(4-methoxyphenyl)-5-methyl-N-propylhexan-1-amine

1-(4-methoxyphenyl)-5-methyl-N-propylhexan-1-amine (PubChem CID 83161012) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-5-methyl-N-propylhexan-1-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-5-methyl-N-propylhexan-1-amine
PubChem CID83161012
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name1-(4-methoxyphenyl)-5-methyl-N-propylhexan-1-amine
SMILESCCCNC(CCCC(C)C)c1ccc(OC)cc1
InChIInChI=1S/C17H29NO/c1-5-13-18-17(8-6-7-14(2)3)15-9-11-16(19-4)12-10-15/h9-12,14,17-18H,5-8,13H2,1-4H3
InChIKeyJXTQPXPAUDPPKK-UHFFFAOYSA-N
XLogP4.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-methoxyphenyl)-2-(3-methylbutylsulfanyl)ethyl]propan-1-amine
CID 107764019
1-(4-ethylsulfanylphenyl)-5-methyl-N-propylhexan-1-amine
CID 106849361
1-(4-methoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 63414142
1-(4-fluoro-3-methoxyphenyl)-5-methyl-N-propylhexan-1-amine
CID 105028526
N-[1-(4-methoxyphenyl)-2-(2-methylpropylsulfinyl)ethyl]propan-1-amine
CID 64651022
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methylpentan-1-amine
CID 83155306
1-(4-methoxyphenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 65167488
5-methyl-N-propyl-1-thiophen-3-ylhexan-1-amine
CID 83161557
1-(4-ethoxyphenyl)-N-propyloctan-1-amine
CID 43495169
N-[1-(4-methoxyphenyl)-2-phenylethyl]propan-1-amine
CID 43495037
1-(4-fluoro-3-methylphenyl)-5-methyl-N-propylhexan-1-amine
CID 83161130
1-(4-methoxyphenyl)-2-methyl-N-propylpentan-1-amine
CID 43494981

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-5-methyl-N-propylhexan-1-amine?
The IUPAC name of 1-(4-methoxyphenyl)-5-methyl-N-propylhexan-1-amine (CID 83161012) is 1-(4-methoxyphenyl)-5-methyl-N-propylhexan-1-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)-5-methyl-N-propylhexan-1-amine?
The canonical SMILES for 1-(4-methoxyphenyl)-5-methyl-N-propylhexan-1-amine is CCCNC(CCCC(C)C)c1ccc(OC)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-5-methyl-N-propylhexan-1-amine?
The InChIKey is JXTQPXPAUDPPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-5-13-18-17(8-6-7-14(2)3)15-9-11-16(19-4)12-10-15/h9-12,14,17-18H,5-8,13H2,1-4H3.
What are the key properties of 1-(4-methoxyphenyl)-5-methyl-N-propylhexan-1-amine?
1-(4-methoxyphenyl)-5-methyl-N-propylhexan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 4.56, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-5-methyl-N-propylhexan-1-amine is sourced from PubChem (CID 83161012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).