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

C17H29NO — CID 83941650

IUPAC1-(4-ethoxy-2-ethylphenyl)heptan-4-amine
SMILESCCCC(N)CCCc1ccc(OCC)cc1CC
InChIInChI=1S/C17H29NO/c1-4-8-16(18)10-7-9-15-11-12-17(19-6-3)13-14(15)5-2/h11-13,16H,4-10,18H2,1-3H3
InChIKeyMNONESDXYBHKJG-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.10
Rot. Bonds9

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

1-(4-ethoxy-2-ethylphenyl)heptan-4-amine (PubChem CID 83941650) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 1-(4-ethoxy-2-ethylphenyl)heptan-4-amine.

Molecular Properties

Compound Name1-(4-ethoxy-2-ethylphenyl)heptan-4-amine
PubChem CID83941650
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name1-(4-ethoxy-2-ethylphenyl)heptan-4-amine
SMILESCCCC(N)CCCc1ccc(OCC)cc1CC
InChIInChI=1S/C17H29NO/c1-4-8-16(18)10-7-9-15-11-12-17(19-6-3)13-14(15)5-2/h11-13,16H,4-10,18H2,1-3H3
InChIKeyMNONESDXYBHKJG-UHFFFAOYSA-N
XLogP4.10
TPSA35.25 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 ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethoxy-2-methylphenyl)heptan-4-amine
CID 83936586
1-(4-ethoxyphenyl)heptan-4-amine
CID 83932178
1-(3-bromopropyl)-4-ethoxy-2-ethylbenzene
CID 83941643
4-(4-ethoxy-2-ethylphenyl)butanenitrile
CID 83941707
1-(4,5-diethoxy-2-fluorophenyl)heptan-4-amine
CID 83923067
1-(5-chloro-2,4-diethoxyphenyl)heptan-4-amine
CID 83943404
1-(3-bromo-4-ethylphenyl)heptan-4-amine
CID 83921620
methyl 3-(4-ethoxy-2-ethylphenyl)propanoate
CID 82552040
1-(4-ethoxy-2-methylphenyl)butan-2-amine
CID 13209708
5-ethoxy-2-hexylphenol
CID 3021981
1-(3-bromo-4-ethoxyphenyl)heptan-4-amine
CID 83926181
1-(3,4-dimethylphenyl)heptan-4-amine
CID 64503666

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-2-ethylphenyl)heptan-4-amine?
The IUPAC name of 1-(4-ethoxy-2-ethylphenyl)heptan-4-amine (CID 83941650) is 1-(4-ethoxy-2-ethylphenyl)heptan-4-amine.
What is the SMILES notation for 1-(4-ethoxy-2-ethylphenyl)heptan-4-amine?
The canonical SMILES for 1-(4-ethoxy-2-ethylphenyl)heptan-4-amine is CCCC(N)CCCc1ccc(OCC)cc1CC.
What is the InChIKey of 1-(4-ethoxy-2-ethylphenyl)heptan-4-amine?
The InChIKey is MNONESDXYBHKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-4-8-16(18)10-7-9-15-11-12-17(19-6-3)13-14(15)5-2/h11-13,16H,4-10,18H2,1-3H3.
What are the key properties of 1-(4-ethoxy-2-ethylphenyl)heptan-4-amine?
1-(4-ethoxy-2-ethylphenyl)heptan-4-amine has a molecular weight of 263.43 g/mol, XLogP of 4.10, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-2-ethylphenyl)heptan-4-amine is sourced from PubChem (CID 83941650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).