1-(4-chloro-2,5-dipropoxyphenyl)ethanamine

C14H22ClNO2 — CID 82551629

IUPAC1-(4-chloro-2,5-dipropoxyphenyl)ethanamine
SMILESCCCOc1cc(C(C)N)c(OCCC)cc1Cl
InChIInChI=1S/C14H22ClNO2/c1-4-6-17-13-9-12(15)14(18-7-5-2)8-11(13)10(3)16/h8-10H,4-7,16H2,1-3H3
InChIKeyYAENNIHUPQXPJF-UHFFFAOYSA-N
MW271.79 g/mol
LogP3.94
Rot. Bonds7

About 1-(4-chloro-2,5-dipropoxyphenyl)ethanamine

1-(4-chloro-2,5-dipropoxyphenyl)ethanamine (PubChem CID 82551629) has the molecular formula C14H22ClNO2 and a molecular weight of 271.79 g/mol. Its IUPAC name is 1-(4-chloro-2,5-dipropoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(4-chloro-2,5-dipropoxyphenyl)ethanamine
PubChem CID82551629
Molecular FormulaC14H22ClNO2
Molecular Weight271.79 g/mol
Exact Mass271.13
IUPAC Name1-(4-chloro-2,5-dipropoxyphenyl)ethanamine
SMILESCCCOc1cc(C(C)N)c(OCCC)cc1Cl
InChIInChI=1S/C14H22ClNO2/c1-4-6-17-13-9-12(15)14(18-7-5-2)8-11(13)10(3)16/h8-10H,4-7,16H2,1-3H3
InChIKeyYAENNIHUPQXPJF-UHFFFAOYSA-N
XLogP3.94
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2,4-dipropoxyphenyl)ethanol
CID 82268137
1-(3,5-dichloro-2-propoxyphenyl)ethanamine
CID 82267105
(1R)-1-(2-butoxy-5-chlorophenyl)ethanamine
CID 63366602
5-(5-chloro-2,4-dipropoxyphenyl)pentan-2-amine
CID 83943522
(1R)-1-(5-chloro-2-hexoxyphenyl)ethanamine
CID 78932904
(1R)-1-(2-butoxy-4-methylphenyl)ethanamine
CID 63639629
4-(3-chloro-4-propoxyphenyl)butan-2-amine
CID 83952879
6-(5-chloro-4-methyl-2-propoxyphenyl)heptan-3-amine
CID 83937721
5-(5-chloro-4-methyl-2-propoxyphenyl)heptan-2-amine
CID 83937769
1-(3-chloro-4-hexoxyphenyl)ethanamine
CID 55130353
1,2,4-trichloro-5-undecoxybenzene
CID 518118
4,5-dichloro-2-propoxybenzenethiol
CID 91874244

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,5-dipropoxyphenyl)ethanamine?
The IUPAC name of 1-(4-chloro-2,5-dipropoxyphenyl)ethanamine (CID 82551629) is 1-(4-chloro-2,5-dipropoxyphenyl)ethanamine.
What is the SMILES notation for 1-(4-chloro-2,5-dipropoxyphenyl)ethanamine?
The canonical SMILES for 1-(4-chloro-2,5-dipropoxyphenyl)ethanamine is CCCOc1cc(C(C)N)c(OCCC)cc1Cl.
What is the InChIKey of 1-(4-chloro-2,5-dipropoxyphenyl)ethanamine?
The InChIKey is YAENNIHUPQXPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO2/c1-4-6-17-13-9-12(15)14(18-7-5-2)8-11(13)10(3)16/h8-10H,4-7,16H2,1-3H3.
What are the key properties of 1-(4-chloro-2,5-dipropoxyphenyl)ethanamine?
1-(4-chloro-2,5-dipropoxyphenyl)ethanamine has a molecular weight of 271.79 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2,5-dipropoxyphenyl)ethanamine is sourced from PubChem (CID 82551629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).