3-(2,4-dichlorophenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine

C14H19Cl2N — CID 79338180

IUPAC3-(2,4-dichlorophenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
SMILESCC(=Cc1ccc(Cl)cc1Cl)CNCC(C)C
InChIInChI=1S/C14H19Cl2N/c1-10(2)8-17-9-11(3)6-12-4-5-13(15)7-14(12)16/h4-7,10,17H,8-9H2,1-3H3
InChIKeyXUYLALQCLVTFGW-UHFFFAOYSA-N
MW272.22 g/mol
LogP4.64
Rot. Bonds5

About 3-(2,4-dichlorophenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine

3-(2,4-dichlorophenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine (PubChem CID 79338180) has the molecular formula C14H19Cl2N and a molecular weight of 272.22 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
PubChem CID79338180
Molecular FormulaC14H19Cl2N
Molecular Weight272.22 g/mol
Exact Mass271.09
IUPAC Name3-(2,4-dichlorophenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
SMILESCC(=Cc1ccc(Cl)cc1Cl)CNCC(C)C
InChIInChI=1S/C14H19Cl2N/c1-10(2)8-17-9-11(3)6-12-4-5-13(15)7-14(12)16/h4-7,10,17H,8-9H2,1-3H3
InChIKeyXUYLALQCLVTFGW-UHFFFAOYSA-N
XLogP4.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.22
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2,4-dichlorophenyl)-2-methyl-N-propan-2-ylprop-2-en-1-amine
CID 79340831
5-(2,4-dichlorophenyl)-2,4-dimethylpent-4-enal
CID 54123935
N-[3-(2,4-dichlorophenyl)-2-methylprop-2-enyl]cyclopropanamine
CID 79340534
(E)-2-methyl-N-(2-methylpropyl)-3-(2,3,6-trichlorophenyl)prop-2-en-1-amine
CID 79337266
3-(3,4-difluorophenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
CID 79337268
3-(4-fluoro-3-methylphenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
CID 79338174
(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
2-methyl-N-(2-methylpropyl)-3-pyridin-4-ylprop-2-en-1-amine
CID 79340967
5-(2,5-dichlorophenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine
CID 79607900
2-[2-[2-methyl-3-(2-methylpropylamino)prop-1-enyl]phenoxy]acetonitrile
CID 79338074
3-(3-bromophenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
CID 79338287

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine?
The IUPAC name of 3-(2,4-dichlorophenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine (CID 79338180) is 3-(2,4-dichlorophenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine?
The canonical SMILES for 3-(2,4-dichlorophenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine is CC(=Cc1ccc(Cl)cc1Cl)CNCC(C)C.
What is the InChIKey of 3-(2,4-dichlorophenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine?
The InChIKey is XUYLALQCLVTFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N/c1-10(2)8-17-9-11(3)6-12-4-5-13(15)7-14(12)16/h4-7,10,17H,8-9H2,1-3H3.
What are the key properties of 3-(2,4-dichlorophenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine?
3-(2,4-dichlorophenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine has a molecular weight of 272.22 g/mol, XLogP of 4.64, 5 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-(2-methylpropyl)prop-2-en-1-amine is sourced from PubChem (CID 79338180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).