1-(5-chloro-2,4-diethoxyphenyl)heptan-4-amine

C17H28ClNO2 — CID 83943404

IUPAC1-(5-chloro-2,4-diethoxyphenyl)heptan-4-amine
SMILESCCCC(N)CCCc1cc(Cl)c(OCC)cc1OCC
InChIInChI=1S/C17H28ClNO2/c1-4-8-14(19)10-7-9-13-11-15(18)17(21-6-3)12-16(13)20-5-2/h11-12,14H,4-10,19H2,1-3H3
InChIKeyXVWRKCZDMPTQEP-UHFFFAOYSA-N
MW313.87 g/mol
LogP4.59
Rot. Bonds10

About 1-(5-chloro-2,4-diethoxyphenyl)heptan-4-amine

1-(5-chloro-2,4-diethoxyphenyl)heptan-4-amine (PubChem CID 83943404) has the molecular formula C17H28ClNO2 and a molecular weight of 313.87 g/mol. Its IUPAC name is 1-(5-chloro-2,4-diethoxyphenyl)heptan-4-amine.

Molecular Properties

Compound Name1-(5-chloro-2,4-diethoxyphenyl)heptan-4-amine
PubChem CID83943404
Molecular FormulaC17H28ClNO2
Molecular Weight313.87 g/mol
Exact Mass313.18
IUPAC Name1-(5-chloro-2,4-diethoxyphenyl)heptan-4-amine
SMILESCCCC(N)CCCc1cc(Cl)c(OCC)cc1OCC
InChIInChI=1S/C17H28ClNO2/c1-4-8-14(19)10-7-9-13-11-15(18)17(21-6-3)12-16(13)20-5-2/h11-12,14H,4-10,19H2,1-3H3
InChIKeyXVWRKCZDMPTQEP-UHFFFAOYSA-N
XLogP4.59
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.87
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(5-chloro-2,4-dipropoxyphenyl)pentan-2-amine
CID 83943522
1-(4-chloro-2,5-dimethoxyphenyl)heptan-4-amine
CID 83943152
1-(4,5-diethoxy-2-fluorophenyl)heptan-4-amine
CID 83923067
2-[2-(5-chloro-2,4-diethoxyphenyl)ethyl]propane-1,3-diamine
CID 83943406
5-(5-chloro-2,4-diethoxyphenyl)pentane-2,3-diol
CID 83943497
4-(5-chloro-2,4-diethoxyphenyl)butane-1,2-diol
CID 83943487
1-(3-bromo-4-ethoxyphenyl)heptan-4-amine
CID 83926181
3-(5-chloro-4-ethoxy-2-methylphenyl)propan-1-amine
CID 95447725
1-(4-ethoxy-2-methylphenyl)heptan-4-amine
CID 83936586
1-(4-ethoxy-2-ethylphenyl)heptan-4-amine
CID 83941650
6-(5-chloro-2-methoxy-4-methylphenyl)hexan-3-amine
CID 83937511
6-(5-chloro-4-methyl-2-propoxyphenyl)-2-methylhexan-3-amine
CID 83937719

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2,4-diethoxyphenyl)heptan-4-amine?
The IUPAC name of 1-(5-chloro-2,4-diethoxyphenyl)heptan-4-amine (CID 83943404) is 1-(5-chloro-2,4-diethoxyphenyl)heptan-4-amine.
What is the SMILES notation for 1-(5-chloro-2,4-diethoxyphenyl)heptan-4-amine?
The canonical SMILES for 1-(5-chloro-2,4-diethoxyphenyl)heptan-4-amine is CCCC(N)CCCc1cc(Cl)c(OCC)cc1OCC.
What is the InChIKey of 1-(5-chloro-2,4-diethoxyphenyl)heptan-4-amine?
The InChIKey is XVWRKCZDMPTQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClNO2/c1-4-8-14(19)10-7-9-13-11-15(18)17(21-6-3)12-16(13)20-5-2/h11-12,14H,4-10,19H2,1-3H3.
What are the key properties of 1-(5-chloro-2,4-diethoxyphenyl)heptan-4-amine?
1-(5-chloro-2,4-diethoxyphenyl)heptan-4-amine has a molecular weight of 313.87 g/mol, XLogP of 4.59, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2,4-diethoxyphenyl)heptan-4-amine is sourced from PubChem (CID 83943404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).