1-(4-ethoxy-2-methylphenyl)heptan-4-amine

C16H27NO — CID 83936586

IUPAC1-(4-ethoxy-2-methylphenyl)heptan-4-amine
SMILESCCCC(N)CCCc1ccc(OCC)cc1C
InChIInChI=1S/C16H27NO/c1-4-7-15(17)9-6-8-14-10-11-16(18-5-2)12-13(14)3/h10-12,15H,4-9,17H2,1-3H3
InChIKeyCEYJVFHVTNMIED-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.84
Rot. Bonds8

About 1-(4-ethoxy-2-methylphenyl)heptan-4-amine

1-(4-ethoxy-2-methylphenyl)heptan-4-amine (PubChem CID 83936586) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-(4-ethoxy-2-methylphenyl)heptan-4-amine.

Molecular Properties

Compound Name1-(4-ethoxy-2-methylphenyl)heptan-4-amine
PubChem CID83936586
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name1-(4-ethoxy-2-methylphenyl)heptan-4-amine
SMILESCCCC(N)CCCc1ccc(OCC)cc1C
InChIInChI=1S/C16H27NO/c1-4-7-15(17)9-6-8-14-10-11-16(18-5-2)12-13(14)3/h10-12,15H,4-9,17H2,1-3H3
InChIKeyCEYJVFHVTNMIED-UHFFFAOYSA-N
XLogP3.84
TPSA35.25 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 ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethoxy-2-ethylphenyl)heptan-4-amine
CID 83941650
1-(4-ethoxyphenyl)heptan-4-amine
CID 83932178
3-(4-ethoxy-2-methylphenyl)propane-1-thiol
CID 83798450
5-[2-methyl-4-(2-methylpropoxy)phenyl]pentan-2-amine
CID 83937016
1-(4-ethoxy-2-methylphenyl)butan-2-amine
CID 13209708
3-(4-ethoxy-2-methylphenyl)-N,N-dimethylpropan-1-amine
CID 170866578
1-(4,5-diethoxy-2-fluorophenyl)heptan-4-amine
CID 83923067
1-(4-methoxy-2,5-dimethylphenyl)heptan-4-amine
CID 83927771
1-(5-chloro-2,4-diethoxyphenyl)heptan-4-amine
CID 83943404
(4-ethoxy-2-methylphenyl)methanethiol
CID 83798448
6-(4-methoxy-2-methylphenyl)-2-methylhexan-3-amine
CID 83936392
1-(3,4-dimethylphenyl)heptan-4-amine
CID 64503666

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-2-methylphenyl)heptan-4-amine?
The IUPAC name of 1-(4-ethoxy-2-methylphenyl)heptan-4-amine (CID 83936586) is 1-(4-ethoxy-2-methylphenyl)heptan-4-amine.
What is the SMILES notation for 1-(4-ethoxy-2-methylphenyl)heptan-4-amine?
The canonical SMILES for 1-(4-ethoxy-2-methylphenyl)heptan-4-amine is CCCC(N)CCCc1ccc(OCC)cc1C.
What is the InChIKey of 1-(4-ethoxy-2-methylphenyl)heptan-4-amine?
The InChIKey is CEYJVFHVTNMIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-4-7-15(17)9-6-8-14-10-11-16(18-5-2)12-13(14)3/h10-12,15H,4-9,17H2,1-3H3.
What are the key properties of 1-(4-ethoxy-2-methylphenyl)heptan-4-amine?
1-(4-ethoxy-2-methylphenyl)heptan-4-amine has a molecular weight of 249.40 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-2-methylphenyl)heptan-4-amine is sourced from PubChem (CID 83936586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).