3-(2,4-dichlorophenyl)-2-methyl-N-propan-2-ylprop-2-en-1-amine

C13H17Cl2N — CID 79340831

IUPAC3-(2,4-dichlorophenyl)-2-methyl-N-propan-2-ylprop-2-en-1-amine
SMILESCC(=Cc1ccc(Cl)cc1Cl)CNC(C)C
InChIInChI=1S/C13H17Cl2N/c1-9(2)16-8-10(3)6-11-4-5-12(14)7-13(11)15/h4-7,9,16H,8H2,1-3H3
InChIKeyNIJZYABRWULDHG-UHFFFAOYSA-N
MW258.19 g/mol
LogP4.39
Rot. Bonds4

About 3-(2,4-dichlorophenyl)-2-methyl-N-propan-2-ylprop-2-en-1-amine

3-(2,4-dichlorophenyl)-2-methyl-N-propan-2-ylprop-2-en-1-amine (PubChem CID 79340831) has the molecular formula C13H17Cl2N and a molecular weight of 258.19 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-2-methyl-N-propan-2-ylprop-2-en-1-amine.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-2-methyl-N-propan-2-ylprop-2-en-1-amine
PubChem CID79340831
Molecular FormulaC13H17Cl2N
Molecular Weight258.19 g/mol
Exact Mass257.07
IUPAC Name3-(2,4-dichlorophenyl)-2-methyl-N-propan-2-ylprop-2-en-1-amine
SMILESCC(=Cc1ccc(Cl)cc1Cl)CNC(C)C
InChIInChI=1S/C13H17Cl2N/c1-9(2)16-8-10(3)6-11-4-5-12(14)7-13(11)15/h4-7,9,16H,8H2,1-3H3
InChIKeyNIJZYABRWULDHG-UHFFFAOYSA-N
XLogP4.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.19
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2,4-dichlorophenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
CID 79338180
N-[3-(2,4-dichlorophenyl)-2-methylprop-2-enyl]cyclopropanamine
CID 79340534
5-(2,4-dichlorophenyl)-2,4-dimethylpent-4-enal
CID 54123935
(E)-4-(2,4-dichlorophenyl)-3-methylbut-3-en-2-ol
CID 103091134
1-(2,4-dichlorophenyl)-N-propan-2-yloxyprop-1-en-2-amine
CID 91236046
(Z)-2-[aminomethyl-[(propan-2-ylamino)methyl]amino]-3-(2,4-dichlorophenyl)prop-2-enenitrile
CID 163836349
3-[5-(3-chlorophenyl)thiophen-2-yl]-2-methyl-N-propan-2-ylprop-2-en-1-amine
CID 79340730
2,4-dichloro-1-(2,2-difluoroethenyl)benzene
CID 101499085
2-[(4-chlorophenyl)methylidene]-3-methyl-N-propan-2-ylbutan-1-amine
CID 79338727
3-(4-bromo-3-methylphenyl)-2-methyl-N-propan-2-ylprop-2-en-1-amine
CID 79340621
N-[(Z)-1-(2,4-dichlorophenyl)-2-hydroxy-3,4-dimethylpent-1-en-3-yl]formamide
CID 89145055
N-(2,4-dichlorophenyl)-N'-propan-2-ylethane-1,2-diamine
CID 54806248

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-2-methyl-N-propan-2-ylprop-2-en-1-amine?
The IUPAC name of 3-(2,4-dichlorophenyl)-2-methyl-N-propan-2-ylprop-2-en-1-amine (CID 79340831) is 3-(2,4-dichlorophenyl)-2-methyl-N-propan-2-ylprop-2-en-1-amine.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-2-methyl-N-propan-2-ylprop-2-en-1-amine?
The canonical SMILES for 3-(2,4-dichlorophenyl)-2-methyl-N-propan-2-ylprop-2-en-1-amine is CC(=Cc1ccc(Cl)cc1Cl)CNC(C)C.
What is the InChIKey of 3-(2,4-dichlorophenyl)-2-methyl-N-propan-2-ylprop-2-en-1-amine?
The InChIKey is NIJZYABRWULDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N/c1-9(2)16-8-10(3)6-11-4-5-12(14)7-13(11)15/h4-7,9,16H,8H2,1-3H3.
What are the key properties of 3-(2,4-dichlorophenyl)-2-methyl-N-propan-2-ylprop-2-en-1-amine?
3-(2,4-dichlorophenyl)-2-methyl-N-propan-2-ylprop-2-en-1-amine has a molecular weight of 258.19 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-2-methyl-N-propan-2-ylprop-2-en-1-amine is sourced from PubChem (CID 79340831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).