6-(2,5-dimethyl-4-propoxyphenyl)hexan-3-amine

C17H29NO — CID 83940981

IUPAC6-(2,5-dimethyl-4-propoxyphenyl)hexan-3-amine
SMILESCCCOc1cc(C)c(CCCC(N)CC)cc1C
InChIInChI=1S/C17H29NO/c1-5-10-19-17-12-13(3)15(11-14(17)4)8-7-9-16(18)6-2/h11-12,16H,5-10,18H2,1-4H3
InChIKeyWYJJVZXENPHUHH-UHFFFAOYSA-N
MW263.42 g/mol
LogP4.15
Rot. Bonds8

About 6-(2,5-dimethyl-4-propoxyphenyl)hexan-3-amine

6-(2,5-dimethyl-4-propoxyphenyl)hexan-3-amine (PubChem CID 83940981) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 6-(2,5-dimethyl-4-propoxyphenyl)hexan-3-amine.

Molecular Properties

Compound Name6-(2,5-dimethyl-4-propoxyphenyl)hexan-3-amine
PubChem CID83940981
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name6-(2,5-dimethyl-4-propoxyphenyl)hexan-3-amine
SMILESCCCOc1cc(C)c(CCCC(N)CC)cc1C
InChIInChI=1S/C17H29NO/c1-5-10-19-17-12-13(3)15(11-14(17)4)8-7-9-16(18)6-2/h11-12,16H,5-10,18H2,1-4H3
InChIKeyWYJJVZXENPHUHH-UHFFFAOYSA-N
XLogP4.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methoxy-2,5-dimethylphenyl)heptan-4-amine
CID 83927771
6-(5-fluoro-2-propoxyphenyl)hexan-3-amine
CID 83944180
3-(2,5-dimethyl-4-propoxyphenyl)propanethioamide
CID 83940971
6-(3,5-dichloro-2-propoxyphenyl)hexan-3-amine
CID 83941333
6-(5-chloro-2-methoxy-4-methylphenyl)hexan-3-amine
CID 83937511
6-(5-chloro-4-methyl-2-propoxyphenyl)-2-methylhexan-3-amine
CID 83937719
1-[4-(2,5-dimethyl-4-propoxyphenyl)butyl]piperazine
CID 83940966
1-(2-propoxyphenyl)pentan-3-amine
CID 104662706
5-(2,3,6-trimethyl-4-propoxyphenyl)pentan-2-amine
CID 83939600
6-[4-(aminomethyl)-2-methyl-5-propoxyphenoxy]hexan-3-ol
CID 129262266
1,4-diheptoxy-2,5-dimethylbenzene
CID 59184182
1,4-dibutoxy-2,5-dimethylbenzene
CID 20612934

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethyl-4-propoxyphenyl)hexan-3-amine?
The IUPAC name of 6-(2,5-dimethyl-4-propoxyphenyl)hexan-3-amine (CID 83940981) is 6-(2,5-dimethyl-4-propoxyphenyl)hexan-3-amine.
What is the SMILES notation for 6-(2,5-dimethyl-4-propoxyphenyl)hexan-3-amine?
The canonical SMILES for 6-(2,5-dimethyl-4-propoxyphenyl)hexan-3-amine is CCCOc1cc(C)c(CCCC(N)CC)cc1C.
What is the InChIKey of 6-(2,5-dimethyl-4-propoxyphenyl)hexan-3-amine?
The InChIKey is WYJJVZXENPHUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-5-10-19-17-12-13(3)15(11-14(17)4)8-7-9-16(18)6-2/h11-12,16H,5-10,18H2,1-4H3.
What are the key properties of 6-(2,5-dimethyl-4-propoxyphenyl)hexan-3-amine?
6-(2,5-dimethyl-4-propoxyphenyl)hexan-3-amine has a molecular weight of 263.42 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethyl-4-propoxyphenyl)hexan-3-amine is sourced from PubChem (CID 83940981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).