1-(3,5-dichlorophenyl)-N-propan-2-ylethane-1,2-diamine

C11H16Cl2N2 — CID 62070322

IUPAC1-(3,5-dichlorophenyl)-N-propan-2-ylethane-1,2-diamine
SMILESCC(C)NC(CN)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H16Cl2N2/c1-7(2)15-11(6-14)8-3-9(12)5-10(13)4-8/h3-5,7,11,15H,6,14H2,1-2H3
InChIKeyIXMVGOMRIBMONZ-UHFFFAOYSA-N
MW247.17 g/mol
LogP2.99
Rot. Bonds4

About 1-(3,5-dichlorophenyl)-N-propan-2-ylethane-1,2-diamine

1-(3,5-dichlorophenyl)-N-propan-2-ylethane-1,2-diamine (PubChem CID 62070322) has the molecular formula C11H16Cl2N2 and a molecular weight of 247.17 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-N-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-N-propan-2-ylethane-1,2-diamine
PubChem CID62070322
Molecular FormulaC11H16Cl2N2
Molecular Weight247.17 g/mol
Exact Mass246.07
IUPAC Name1-(3,5-dichlorophenyl)-N-propan-2-ylethane-1,2-diamine
SMILESCC(C)NC(CN)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H16Cl2N2/c1-7(2)15-11(6-14)8-3-9(12)5-10(13)4-8/h3-5,7,11,15H,6,14H2,1-2H3
InChIKeyIXMVGOMRIBMONZ-UHFFFAOYSA-N
XLogP2.99
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.17
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-fluorophenyl)-N-propan-2-ylethane-1,2-diamine
CID 81146229
2-(3,5-dichlorophenyl)-2-(2,2-dimethylhydrazinyl)ethanamine
CID 83011513
1-(4-chloro-3-fluorophenyl)-N-propan-2-ylethane-1,2-diamine
CID 62071197
1-(3,4-dimethylphenyl)-N-propan-2-ylethane-1,2-diamine
CID 62070144
1-[4-(dimethylamino)phenyl]-N-propan-2-ylethane-1,2-diamine
CID 62066969
1-(3,5-dichlorophenyl)-N-(2,6-dimethylpiperidin-1-yl)ethane-1,2-diamine
CID 83011963
1-(3-methoxyphenyl)-N-propan-2-ylethane-1,2-diamine
CID 62066957
1-(3,5-dichlorophenyl)-N-phenylethane-1,2-diamine
CID 65380315
N-propan-2-yl-1-thiophen-3-ylethane-1,2-diamine
CID 62064771
(1R)-1-(3,5-dichlorophenyl)ethane-1,2-diamine
CID 66517114
1-(3,5-dichlorophenyl)ethane-1,2-diamine
CID 60788932
N-(cyclopropylmethyl)-1-(3,5-dichlorophenyl)ethane-1,2-diamine
CID 65385030

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-N-propan-2-ylethane-1,2-diamine?
The IUPAC name of 1-(3,5-dichlorophenyl)-N-propan-2-ylethane-1,2-diamine (CID 62070322) is 1-(3,5-dichlorophenyl)-N-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-N-propan-2-ylethane-1,2-diamine?
The canonical SMILES for 1-(3,5-dichlorophenyl)-N-propan-2-ylethane-1,2-diamine is CC(C)NC(CN)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-N-propan-2-ylethane-1,2-diamine?
The InChIKey is IXMVGOMRIBMONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2N2/c1-7(2)15-11(6-14)8-3-9(12)5-10(13)4-8/h3-5,7,11,15H,6,14H2,1-2H3.
What are the key properties of 1-(3,5-dichlorophenyl)-N-propan-2-ylethane-1,2-diamine?
1-(3,5-dichlorophenyl)-N-propan-2-ylethane-1,2-diamine has a molecular weight of 247.17 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-N-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 62070322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).