1-(4-ethoxyphenyl)heptan-4-amine

C15H25NO — CID 83932178

IUPAC1-(4-ethoxyphenyl)heptan-4-amine
SMILESCCCC(N)CCCc1ccc(OCC)cc1
InChIInChI=1S/C15H25NO/c1-3-6-14(16)8-5-7-13-9-11-15(12-10-13)17-4-2/h9-12,14H,3-8,16H2,1-2H3
InChIKeyDXYNIFAWINMGKB-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.54
Rot. Bonds8

About 1-(4-ethoxyphenyl)heptan-4-amine

1-(4-ethoxyphenyl)heptan-4-amine (PubChem CID 83932178) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)heptan-4-amine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)heptan-4-amine
PubChem CID83932178
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-(4-ethoxyphenyl)heptan-4-amine
SMILESCCCC(N)CCCc1ccc(OCC)cc1
InChIInChI=1S/C15H25NO/c1-3-6-14(16)8-5-7-13-9-11-15(12-10-13)17-4-2/h9-12,14H,3-8,16H2,1-2H3
InChIKeyDXYNIFAWINMGKB-UHFFFAOYSA-N
XLogP3.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-(4-methoxyphenyl)octan-4-amine
CID 65442846
4-(4-aminoheptyl)aniline
CID 83928416
1-(4-ethoxy-2-methylphenyl)heptan-4-amine
CID 83936586
1-(4-ethoxy-2-ethylphenyl)heptan-4-amine
CID 83941650
1-(3-bromo-4-ethoxyphenyl)heptan-4-amine
CID 83926181
2-amino-5-(4-hexoxyphenyl)pentan-1-ol;hydrochloride
CID 22618781
8-(4-hexylphenyl)octan-4-amine;methanol;methoxymethane
CID 142803034
1-(3,4-dimethylphenyl)heptan-4-amine
CID 64503666
6-(4-ethoxyphenyl)-N-propylhexan-1-amine
CID 65308945
1-ethoxy-4-[(E)-2-(4-octylphenyl)ethenyl]benzene
CID 22662535
3-N-[2-(4-ethoxyphenyl)ethyl]-3-N-methylpropane-1,2,3-triamine
CID 115120101
4-(4-ethoxyphenyl)butane-1-thiol
CID 94681692

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)heptan-4-amine?
The IUPAC name of 1-(4-ethoxyphenyl)heptan-4-amine (CID 83932178) is 1-(4-ethoxyphenyl)heptan-4-amine.
What is the SMILES notation for 1-(4-ethoxyphenyl)heptan-4-amine?
The canonical SMILES for 1-(4-ethoxyphenyl)heptan-4-amine is CCCC(N)CCCc1ccc(OCC)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)heptan-4-amine?
The InChIKey is DXYNIFAWINMGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-3-6-14(16)8-5-7-13-9-11-15(12-10-13)17-4-2/h9-12,14H,3-8,16H2,1-2H3.
What are the key properties of 1-(4-ethoxyphenyl)heptan-4-amine?
1-(4-ethoxyphenyl)heptan-4-amine has a molecular weight of 235.37 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)heptan-4-amine is sourced from PubChem (CID 83932178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).