1-(2,5-dichlorophenyl)-3-(2,6-dichlorophenyl)propan-2-amine

C15H13Cl4N — CID 65321380

IUPAC1-(2,5-dichlorophenyl)-3-(2,6-dichlorophenyl)propan-2-amine
SMILESNC(Cc1cc(Cl)ccc1Cl)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C15H13Cl4N/c16-10-4-5-13(17)9(6-10)7-11(20)8-12-14(18)2-1-3-15(12)19/h1-6,11H,7-8,20H2
InChIKeyPHJPSFIPOWHLIX-UHFFFAOYSA-N
MW349.09 g/mol
LogP5.41
Rot. Bonds4

About 1-(2,5-dichlorophenyl)-3-(2,6-dichlorophenyl)propan-2-amine

1-(2,5-dichlorophenyl)-3-(2,6-dichlorophenyl)propan-2-amine (PubChem CID 65321380) has the molecular formula C15H13Cl4N and a molecular weight of 349.09 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-3-(2,6-dichlorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-3-(2,6-dichlorophenyl)propan-2-amine
PubChem CID65321380
Molecular FormulaC15H13Cl4N
Molecular Weight349.09 g/mol
Exact Mass346.98
IUPAC Name1-(2,5-dichlorophenyl)-3-(2,6-dichlorophenyl)propan-2-amine
SMILESNC(Cc1cc(Cl)ccc1Cl)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C15H13Cl4N/c16-10-4-5-13(17)9(6-10)7-11(20)8-12-14(18)2-1-3-15(12)19/h1-6,11H,7-8,20H2
InChIKeyPHJPSFIPOWHLIX-UHFFFAOYSA-N
XLogP5.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.09
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,5-dichlorophenyl)-4-methylhexan-2-amine
CID 115863195
1-(4-chloro-3-fluorophenyl)-3-(2,6-dichlorophenyl)propan-2-amine
CID 107884616
1-(2,5-dichlorophenyl)pent-4-en-2-amine
CID 116660415
1-(5-chlorofuran-2-yl)-2-(2,5-dichlorophenyl)ethanamine
CID 106692129
1-(5-chloro-2-fluorophenyl)-2-(2,5-dichlorophenyl)ethanamine
CID 114885921
2-(2,5-dichlorophenyl)-1-thiophen-2-ylethanamine
CID 65321861
2-amino-3-(2,6-dichlorophenyl)propan-1-ol
CID 18387991
4-(2,5-dichlorophenyl)-3-methylbutan-2-amine
CID 65316880
2-(2,5-dichlorophenyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 65321175
1-(2-bromophenyl)sulfanyl-3-(2,5-dichlorophenyl)propan-2-amine
CID 66144457
2-(2,5-dichlorophenyl)-1-(3-methoxyphenyl)ethanamine
CID 65321564
3-(2,5-dichlorophenyl)-1,1,1-trifluoropropan-2-amine
CID 115862976

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-3-(2,6-dichlorophenyl)propan-2-amine?
The IUPAC name of 1-(2,5-dichlorophenyl)-3-(2,6-dichlorophenyl)propan-2-amine (CID 65321380) is 1-(2,5-dichlorophenyl)-3-(2,6-dichlorophenyl)propan-2-amine.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-3-(2,6-dichlorophenyl)propan-2-amine?
The canonical SMILES for 1-(2,5-dichlorophenyl)-3-(2,6-dichlorophenyl)propan-2-amine is NC(Cc1cc(Cl)ccc1Cl)Cc1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)-3-(2,6-dichlorophenyl)propan-2-amine?
The InChIKey is PHJPSFIPOWHLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl4N/c16-10-4-5-13(17)9(6-10)7-11(20)8-12-14(18)2-1-3-15(12)19/h1-6,11H,7-8,20H2.
What are the key properties of 1-(2,5-dichlorophenyl)-3-(2,6-dichlorophenyl)propan-2-amine?
1-(2,5-dichlorophenyl)-3-(2,6-dichlorophenyl)propan-2-amine has a molecular weight of 349.09 g/mol, XLogP of 5.41, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-3-(2,6-dichlorophenyl)propan-2-amine is sourced from PubChem (CID 65321380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).