4-(4-ethoxy-2,3-dimethylphenyl)hexan-1-amine

C16H27NO — CID 83939793

IUPAC4-(4-ethoxy-2,3-dimethylphenyl)hexan-1-amine
SMILESCCOc1ccc(C(CC)CCCN)c(C)c1C
InChIInChI=1S/C16H27NO/c1-5-14(8-7-11-17)15-9-10-16(18-6-2)13(4)12(15)3/h9-10,14H,5-8,11,17H2,1-4H3
InChIKeyWAMSYFQBNOJQDJ-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.93
Rot. Bonds7

About 4-(4-ethoxy-2,3-dimethylphenyl)hexan-1-amine

4-(4-ethoxy-2,3-dimethylphenyl)hexan-1-amine (PubChem CID 83939793) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 4-(4-ethoxy-2,3-dimethylphenyl)hexan-1-amine.

Molecular Properties

Compound Name4-(4-ethoxy-2,3-dimethylphenyl)hexan-1-amine
PubChem CID83939793
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name4-(4-ethoxy-2,3-dimethylphenyl)hexan-1-amine
SMILESCCOc1ccc(C(CC)CCCN)c(C)c1C
InChIInChI=1S/C16H27NO/c1-5-14(8-7-11-17)15-9-10-16(18-6-2)13(4)12(15)3/h9-10,14H,5-8,11,17H2,1-4H3
InChIKeyWAMSYFQBNOJQDJ-UHFFFAOYSA-N
XLogP3.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-ethoxy-2,3-dimethylphenyl)heptan-2-one
CID 83939803
4-(5-chloro-2-ethoxyphenyl)hexan-1-amine
CID 83933222
4-(4,5-diethoxy-2-fluorophenyl)hexan-1-amine
CID 83923062
4-[2-ethoxy-5-(trifluoromethyl)phenyl]hexan-1-amine
CID 83921157
1-ethoxy-2,3-dimethyl-4-[(Z)-oct-5-en-3-yl]benzene
CID 83939883
4-(3,4-diethoxyphenyl)heptan-1-amine
CID 83923533
2-(4-methoxy-2,3-dimethylphenyl)butan-1-amine
CID 82492421
5-(2,3,4-triethoxyphenyl)heptan-2-amine
CID 83934242
1-(4-ethoxy-3-methylphenyl)butane-1,4-diamine
CID 116933717
6-(4-ethoxy-2,3-dimethylphenyl)hexan-3-amine
CID 83939848
(1S)-1-(4-ethoxy-3-methoxyphenyl)butane-1,4-diamine
CID 171231816
(1R)-1-(3-ethoxy-4-methoxyphenyl)butane-1,4-diamine
CID 171210802

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxy-2,3-dimethylphenyl)hexan-1-amine?
The IUPAC name of 4-(4-ethoxy-2,3-dimethylphenyl)hexan-1-amine (CID 83939793) is 4-(4-ethoxy-2,3-dimethylphenyl)hexan-1-amine.
What is the SMILES notation for 4-(4-ethoxy-2,3-dimethylphenyl)hexan-1-amine?
The canonical SMILES for 4-(4-ethoxy-2,3-dimethylphenyl)hexan-1-amine is CCOc1ccc(C(CC)CCCN)c(C)c1C.
What is the InChIKey of 4-(4-ethoxy-2,3-dimethylphenyl)hexan-1-amine?
The InChIKey is WAMSYFQBNOJQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-5-14(8-7-11-17)15-9-10-16(18-6-2)13(4)12(15)3/h9-10,14H,5-8,11,17H2,1-4H3.
What are the key properties of 4-(4-ethoxy-2,3-dimethylphenyl)hexan-1-amine?
4-(4-ethoxy-2,3-dimethylphenyl)hexan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxy-2,3-dimethylphenyl)hexan-1-amine is sourced from PubChem (CID 83939793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).