4-(3,4-diethoxyphenyl)heptan-1-amine

C17H29NO2 — CID 83923533

IUPAC4-(3,4-diethoxyphenyl)heptan-1-amine
SMILESCCCC(CCCN)c1ccc(OCC)c(OCC)c1
InChIInChI=1S/C17H29NO2/c1-4-8-14(9-7-12-18)15-10-11-16(19-5-2)17(13-15)20-6-3/h10-11,13-14H,4-9,12,18H2,1-3H3
InChIKeyDEBIHBAIYHTLOQ-UHFFFAOYSA-N
MW279.42 g/mol
LogP4.11
Rot. Bonds10

About 4-(3,4-diethoxyphenyl)heptan-1-amine

4-(3,4-diethoxyphenyl)heptan-1-amine (PubChem CID 83923533) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 4-(3,4-diethoxyphenyl)heptan-1-amine.

Molecular Properties

Compound Name4-(3,4-diethoxyphenyl)heptan-1-amine
PubChem CID83923533
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name4-(3,4-diethoxyphenyl)heptan-1-amine
SMILESCCCC(CCCN)c1ccc(OCC)c(OCC)c1
InChIInChI=1S/C17H29NO2/c1-4-8-14(9-7-12-18)15-10-11-16(19-5-2)17(13-15)20-6-3/h10-11,13-14H,4-9,12,18H2,1-3H3
InChIKeyDEBIHBAIYHTLOQ-UHFFFAOYSA-N
XLogP4.11
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(4-ethoxy-3-methoxyphenyl)butane-1,4-diamine
CID 171231816
(1R)-1-(3-ethoxy-4-methoxyphenyl)butane-1,4-diamine
CID 171210802
4-(3,4-dimethylphenyl)heptan-1-amine
CID 83927883
ethane;2-ethoxy-1-fluoro-4-nonan-5-ylbenzene
CID 143471834
4-(5-chloro-2-ethoxyphenyl)hexan-1-amine
CID 83933222
(1S)-1-(3-ethoxy-4-phenylmethoxyphenyl)butane-1,4-diamine
CID 171230001
4-(4,5-diethoxy-2-fluorophenyl)hexan-1-amine
CID 83923062
4-(4-chlorophenyl)heptan-1-amine
CID 83931131
(1S)-1-(4-ethoxy-3-methoxyphenyl)pentane-1,5-diamine
CID 171231818
4-(4-ethoxy-2,3-dimethylphenyl)hexan-1-amine
CID 83939793
1-(4-ethoxy-3-methylphenyl)butane-1,4-diamine
CID 116933717
1-(4-butoxy-3-ethoxyphenyl)butan-1-ol
CID 83952160

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-diethoxyphenyl)heptan-1-amine?
The IUPAC name of 4-(3,4-diethoxyphenyl)heptan-1-amine (CID 83923533) is 4-(3,4-diethoxyphenyl)heptan-1-amine.
What is the SMILES notation for 4-(3,4-diethoxyphenyl)heptan-1-amine?
The canonical SMILES for 4-(3,4-diethoxyphenyl)heptan-1-amine is CCCC(CCCN)c1ccc(OCC)c(OCC)c1.
What is the InChIKey of 4-(3,4-diethoxyphenyl)heptan-1-amine?
The InChIKey is DEBIHBAIYHTLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-4-8-14(9-7-12-18)15-10-11-16(19-5-2)17(13-15)20-6-3/h10-11,13-14H,4-9,12,18H2,1-3H3.
What are the key properties of 4-(3,4-diethoxyphenyl)heptan-1-amine?
4-(3,4-diethoxyphenyl)heptan-1-amine has a molecular weight of 279.42 g/mol, XLogP of 4.11, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-diethoxyphenyl)heptan-1-amine is sourced from PubChem (CID 83923533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).