2-(4-ethoxyphenyl)heptane-1,3-diamine

C15H26N2O — CID 20848171

IUPAC2-(4-ethoxyphenyl)heptane-1,3-diamine
SMILESCCCCC(N)C(CN)c1ccc(OCC)cc1
InChIInChI=1S/C15H26N2O/c1-3-5-6-15(17)14(11-16)12-7-9-13(10-8-12)18-4-2/h7-10,14-15H,3-6,11,16-17H2,1-2H3
InChIKeyBGIQEMYWNNTRMV-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.65
Rot. Bonds8

About 2-(4-ethoxyphenyl)heptane-1,3-diamine

2-(4-ethoxyphenyl)heptane-1,3-diamine (PubChem CID 20848171) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)heptane-1,3-diamine.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)heptane-1,3-diamine
PubChem CID20848171
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-(4-ethoxyphenyl)heptane-1,3-diamine
SMILESCCCCC(N)C(CN)c1ccc(OCC)cc1
InChIInChI=1S/C15H26N2O/c1-3-5-6-15(17)14(11-16)12-7-9-13(10-8-12)18-4-2/h7-10,14-15H,3-6,11,16-17H2,1-2H3
InChIKeyBGIQEMYWNNTRMV-UHFFFAOYSA-N
XLogP2.65
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(4-ethoxyphenyl)pentan-1-amine;hydrochloride
CID 171220237
2-(3-methylphenyl)heptane-1,3-diamine
CID 20848406
2-(4-ethoxyphenyl)pentan-1-amine
CID 112507782
(1R)-1-(4-ethoxyphenyl)propane-1,3-diamine;hydrochloride
CID 171200689
(1S)-1-(4-ethoxyphenyl)butane-1,4-diamine;hydrochloride
CID 171220228
1-(4-ethoxyphenyl)-N-methylpentan-1-amine
CID 43481859
(1R)-1-(4-ethoxyphenyl)pentane-1,5-diamine
CID 171200692
3-amino-1-cyclopropyl-2-(4-ethoxyphenyl)propan-1-ol
CID 65187865
3-(4-ethoxyphenyl)octyl-dimethylsilane
CID 173365321
1-(4-propoxyphenyl)pentan-1-amine
CID 79016312
1-(4-ethoxyphenyl)-2-ethylhexan-1-ol
CID 61099537
amino-(4-ethoxyphenyl)methanol
CID 116939610

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)heptane-1,3-diamine?
The IUPAC name of 2-(4-ethoxyphenyl)heptane-1,3-diamine (CID 20848171) is 2-(4-ethoxyphenyl)heptane-1,3-diamine.
What is the SMILES notation for 2-(4-ethoxyphenyl)heptane-1,3-diamine?
The canonical SMILES for 2-(4-ethoxyphenyl)heptane-1,3-diamine is CCCCC(N)C(CN)c1ccc(OCC)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)heptane-1,3-diamine?
The InChIKey is BGIQEMYWNNTRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-3-5-6-15(17)14(11-16)12-7-9-13(10-8-12)18-4-2/h7-10,14-15H,3-6,11,16-17H2,1-2H3.
What are the key properties of 2-(4-ethoxyphenyl)heptane-1,3-diamine?
2-(4-ethoxyphenyl)heptane-1,3-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.65, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)heptane-1,3-diamine is sourced from PubChem (CID 20848171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).