5-(2,3,6-trimethyl-4-propoxyphenyl)pentan-2-amine

C17H29NO — CID 83939600

IUPAC5-(2,3,6-trimethyl-4-propoxyphenyl)pentan-2-amine
SMILESCCCOc1cc(C)c(CCCC(C)N)c(C)c1C
InChIInChI=1S/C17H29NO/c1-6-10-19-17-11-12(2)16(14(4)15(17)5)9-7-8-13(3)18/h11,13H,6-10,18H2,1-5H3
InChIKeyVHWDCMVBPDATST-UHFFFAOYSA-N
MW263.42 g/mol
LogP4.07
Rot. Bonds7

About 5-(2,3,6-trimethyl-4-propoxyphenyl)pentan-2-amine

5-(2,3,6-trimethyl-4-propoxyphenyl)pentan-2-amine (PubChem CID 83939600) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 5-(2,3,6-trimethyl-4-propoxyphenyl)pentan-2-amine.

Molecular Properties

Compound Name5-(2,3,6-trimethyl-4-propoxyphenyl)pentan-2-amine
PubChem CID83939600
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name5-(2,3,6-trimethyl-4-propoxyphenyl)pentan-2-amine
SMILESCCCOc1cc(C)c(CCCC(C)N)c(C)c1C
InChIInChI=1S/C17H29NO/c1-6-10-19-17-11-12(2)16(14(4)15(17)5)9-7-8-13(3)18/h11,13H,6-10,18H2,1-5H3
InChIKeyVHWDCMVBPDATST-UHFFFAOYSA-N
XLogP4.07
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(2,3,6-trimethyl-4-propoxyphenyl)ethyl]propane-1,3-diamine
CID 83939555
5-(3-chloro-6-ethoxy-2,4-dimethylphenyl)pentan-2-amine
CID 83937893
1,2,3,4-tetramethyl-5-propoxybenzene
CID 143028127
5-(5-chloro-2,4-dipropoxyphenyl)pentan-2-amine
CID 83943522
3-methyl-4-(2,3,6-trimethyl-4-propoxyphenyl)butanethioamide
CID 83939593
5-(4-ethoxy-2,3,6-trimethylphenyl)pentane-2,3-diol
CID 83939528
triphenyl-[(2,3,6-trimethyl-4-propoxyphenyl)methyl]phosphanium
CID 86735910
6-(2,5-dimethyl-4-propoxyphenyl)hexan-3-amine
CID 83940981
6-(5-chloro-4-methyl-2-propoxyphenyl)-2-methylhexan-3-amine
CID 83937719
1-ethyl-4-[2-(2,3,6-trimethyl-4-propoxyphenyl)ethyl]triazole
CID 112719331
5-(4-ethoxy-2,3,6-trimethylphenyl)hexan-2-amine
CID 83939473
4-(2-propoxyphenoxy)butan-2-amine
CID 43118980

Frequently Asked Questions

What is the IUPAC name of 5-(2,3,6-trimethyl-4-propoxyphenyl)pentan-2-amine?
The IUPAC name of 5-(2,3,6-trimethyl-4-propoxyphenyl)pentan-2-amine (CID 83939600) is 5-(2,3,6-trimethyl-4-propoxyphenyl)pentan-2-amine.
What is the SMILES notation for 5-(2,3,6-trimethyl-4-propoxyphenyl)pentan-2-amine?
The canonical SMILES for 5-(2,3,6-trimethyl-4-propoxyphenyl)pentan-2-amine is CCCOc1cc(C)c(CCCC(C)N)c(C)c1C.
What is the InChIKey of 5-(2,3,6-trimethyl-4-propoxyphenyl)pentan-2-amine?
The InChIKey is VHWDCMVBPDATST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-6-10-19-17-11-12(2)16(14(4)15(17)5)9-7-8-13(3)18/h11,13H,6-10,18H2,1-5H3.
What are the key properties of 5-(2,3,6-trimethyl-4-propoxyphenyl)pentan-2-amine?
5-(2,3,6-trimethyl-4-propoxyphenyl)pentan-2-amine has a molecular weight of 263.42 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3,6-trimethyl-4-propoxyphenyl)pentan-2-amine is sourced from PubChem (CID 83939600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).