5-(5-chloro-2,4-dipropoxyphenyl)pentan-2-amine

C17H28ClNO2 — CID 83943522

IUPAC5-(5-chloro-2,4-dipropoxyphenyl)pentan-2-amine
SMILESCCCOc1cc(OCCC)c(CCCC(C)N)cc1Cl
InChIInChI=1S/C17H28ClNO2/c1-4-9-20-16-12-17(21-10-5-2)15(18)11-14(16)8-6-7-13(3)19/h11-13H,4-10,19H2,1-3H3
InChIKeyQGMKDGFUUXOAOC-UHFFFAOYSA-N
MW313.87 g/mol
LogP4.59
Rot. Bonds10

About 5-(5-chloro-2,4-dipropoxyphenyl)pentan-2-amine

5-(5-chloro-2,4-dipropoxyphenyl)pentan-2-amine (PubChem CID 83943522) has the molecular formula C17H28ClNO2 and a molecular weight of 313.87 g/mol. Its IUPAC name is 5-(5-chloro-2,4-dipropoxyphenyl)pentan-2-amine.

Molecular Properties

Compound Name5-(5-chloro-2,4-dipropoxyphenyl)pentan-2-amine
PubChem CID83943522
Molecular FormulaC17H28ClNO2
Molecular Weight313.87 g/mol
Exact Mass313.18
IUPAC Name5-(5-chloro-2,4-dipropoxyphenyl)pentan-2-amine
SMILESCCCOc1cc(OCCC)c(CCCC(C)N)cc1Cl
InChIInChI=1S/C17H28ClNO2/c1-4-9-20-16-12-17(21-10-5-2)15(18)11-14(16)8-6-7-13(3)19/h11-13H,4-10,19H2,1-3H3
InChIKeyQGMKDGFUUXOAOC-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

1-(5-chloro-2,4-diethoxyphenyl)heptan-4-amine
CID 83943404
6-(5-chloro-4-methyl-2-propoxyphenyl)-2-methylhexan-3-amine
CID 83937719
4-(3-chloro-4-propoxyphenyl)butan-2-amine
CID 83952879
5-(2,3,6-trimethyl-4-propoxyphenyl)pentan-2-amine
CID 83939600
1-(4-chloro-2,5-dipropoxyphenyl)ethanamine
CID 82551629
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
5-(5-chloro-4-methyl-2-propoxyphenyl)pentane-2,3-diol
CID 83937823
4-(3-chloro-4-nonoxyphenyl)butan-2-amine
CID 83951315
1-(5-chloro-2,4-dipropoxyphenyl)ethanol
CID 82268137
4-(3-chloro-5-ethoxy-4-propoxyphenyl)butan-2-amine
CID 83952634
1-(5-chloro-4-methyl-2-propoxyphenyl)heptane-3,4-diol
CID 83937827

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2,4-dipropoxyphenyl)pentan-2-amine?
The IUPAC name of 5-(5-chloro-2,4-dipropoxyphenyl)pentan-2-amine (CID 83943522) is 5-(5-chloro-2,4-dipropoxyphenyl)pentan-2-amine.
What is the SMILES notation for 5-(5-chloro-2,4-dipropoxyphenyl)pentan-2-amine?
The canonical SMILES for 5-(5-chloro-2,4-dipropoxyphenyl)pentan-2-amine is CCCOc1cc(OCCC)c(CCCC(C)N)cc1Cl.
What is the InChIKey of 5-(5-chloro-2,4-dipropoxyphenyl)pentan-2-amine?
The InChIKey is QGMKDGFUUXOAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClNO2/c1-4-9-20-16-12-17(21-10-5-2)15(18)11-14(16)8-6-7-13(3)19/h11-13H,4-10,19H2,1-3H3.
What are the key properties of 5-(5-chloro-2,4-dipropoxyphenyl)pentan-2-amine?
5-(5-chloro-2,4-dipropoxyphenyl)pentan-2-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 5-(5-chloro-2,4-dipropoxyphenyl)pentan-2-amine is sourced from PubChem (CID 83943522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).