6-(3,5-dichloro-2-propoxyphenyl)hexan-3-amine

C15H23Cl2NO — CID 83941333

IUPAC6-(3,5-dichloro-2-propoxyphenyl)hexan-3-amine
SMILESCCCOc1c(Cl)cc(Cl)cc1CCCC(N)CC
InChIInChI=1S/C15H23Cl2NO/c1-3-8-19-15-11(6-5-7-13(18)4-2)9-12(16)10-14(15)17/h9-10,13H,3-8,18H2,1-2H3
InChIKeyBDLPIAXBFSARNM-UHFFFAOYSA-N
MW304.26 g/mol
LogP4.84
Rot. Bonds8

About 6-(3,5-dichloro-2-propoxyphenyl)hexan-3-amine

6-(3,5-dichloro-2-propoxyphenyl)hexan-3-amine (PubChem CID 83941333) has the molecular formula C15H23Cl2NO and a molecular weight of 304.26 g/mol. Its IUPAC name is 6-(3,5-dichloro-2-propoxyphenyl)hexan-3-amine.

Molecular Properties

Compound Name6-(3,5-dichloro-2-propoxyphenyl)hexan-3-amine
PubChem CID83941333
Molecular FormulaC15H23Cl2NO
Molecular Weight304.26 g/mol
Exact Mass303.12
IUPAC Name6-(3,5-dichloro-2-propoxyphenyl)hexan-3-amine
SMILESCCCOc1c(Cl)cc(Cl)cc1CCCC(N)CC
InChIInChI=1S/C15H23Cl2NO/c1-3-8-19-15-11(6-5-7-13(18)4-2)9-12(16)10-14(15)17/h9-10,13H,3-8,18H2,1-2H3
InChIKeyBDLPIAXBFSARNM-UHFFFAOYSA-N
XLogP4.84
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.26
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-1-(3,5-dichloro-2-propoxyphenyl)pentan-3-ol
CID 83941378
4-(3,5-dichloro-2-propoxyphenyl)butanethioamide
CID 83941328
2-[2-(3,5-dichloro-2-propoxyphenyl)ethyl]propane-1,3-diol
CID 83941330
2-(3,5-dichloro-2-nonoxyphenyl)ethanamine
CID 63421467
4-(3,5-dichloro-2-propoxyphenyl)butane-1,2-diol
CID 83941376
1-(3,5-dichloro-2-octoxyphenyl)propan-2-amine
CID 63421710
4-[2-(2-aminobutyl)-4,6-dichlorophenoxy]butanenitrile
CID 54929145
(3,5-dichloro-2-octoxyphenyl)methanamine
CID 43515616
3-(3,5-dichloro-2-propoxyphenyl)propanoic acid
CID 82267091
6-(2,5-dimethyl-4-propoxyphenyl)hexan-3-amine
CID 83940981
1-(3,5-dichloro-2-propoxyphenyl)ethanamine
CID 82267105
1-[3,5-dichloro-2-(methoxymethoxy)phenyl]butan-2-amine
CID 65364695

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dichloro-2-propoxyphenyl)hexan-3-amine?
The IUPAC name of 6-(3,5-dichloro-2-propoxyphenyl)hexan-3-amine (CID 83941333) is 6-(3,5-dichloro-2-propoxyphenyl)hexan-3-amine.
What is the SMILES notation for 6-(3,5-dichloro-2-propoxyphenyl)hexan-3-amine?
The canonical SMILES for 6-(3,5-dichloro-2-propoxyphenyl)hexan-3-amine is CCCOc1c(Cl)cc(Cl)cc1CCCC(N)CC.
What is the InChIKey of 6-(3,5-dichloro-2-propoxyphenyl)hexan-3-amine?
The InChIKey is BDLPIAXBFSARNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl2NO/c1-3-8-19-15-11(6-5-7-13(18)4-2)9-12(16)10-14(15)17/h9-10,13H,3-8,18H2,1-2H3.
What are the key properties of 6-(3,5-dichloro-2-propoxyphenyl)hexan-3-amine?
6-(3,5-dichloro-2-propoxyphenyl)hexan-3-amine has a molecular weight of 304.26 g/mol, XLogP of 4.84, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dichloro-2-propoxyphenyl)hexan-3-amine is sourced from PubChem (CID 83941333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).