N-[3-(2,4-dichlorophenyl)-2-methylprop-2-enyl]cyclopropanamine

C13H15Cl2N — CID 79340534

IUPACN-[3-(2,4-dichlorophenyl)-2-methylprop-2-enyl]cyclopropanamine
SMILESCC(=Cc1ccc(Cl)cc1Cl)CNC1CC1
InChIInChI=1S/C13H15Cl2N/c1-9(8-16-12-4-5-12)6-10-2-3-11(14)7-13(10)15/h2-3,6-7,12,16H,4-5,8H2,1H3
InChIKeyOEUSWLYNNMTREX-UHFFFAOYSA-N
MW256.18 g/mol
LogP4.15
Rot. Bonds4

About N-[3-(2,4-dichlorophenyl)-2-methylprop-2-enyl]cyclopropanamine

N-[3-(2,4-dichlorophenyl)-2-methylprop-2-enyl]cyclopropanamine (PubChem CID 79340534) has the molecular formula C13H15Cl2N and a molecular weight of 256.18 g/mol. Its IUPAC name is N-[3-(2,4-dichlorophenyl)-2-methylprop-2-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(2,4-dichlorophenyl)-2-methylprop-2-enyl]cyclopropanamine
PubChem CID79340534
Molecular FormulaC13H15Cl2N
Molecular Weight256.18 g/mol
Exact Mass255.06
IUPAC NameN-[3-(2,4-dichlorophenyl)-2-methylprop-2-enyl]cyclopropanamine
SMILESCC(=Cc1ccc(Cl)cc1Cl)CNC1CC1
InChIInChI=1S/C13H15Cl2N/c1-9(8-16-12-4-5-12)6-10-2-3-11(14)7-13(10)15/h2-3,6-7,12,16H,4-5,8H2,1H3
InChIKeyOEUSWLYNNMTREX-UHFFFAOYSA-N
XLogP4.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.18
LogP ≤ 54.15
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
3-(2,4-dichlorophenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
CID 79338180
N-[(2Z)-2-[(3-chloro-4-fluorophenyl)methylidene]butyl]cyclopropanamine
CID 81156213
5-(2,4-dichlorophenyl)-2,4-dimethylpent-4-enal
CID 54123935
N-[3-(3-bromophenyl)-2-methylprop-2-enyl]cyclopropanamine
CID 79340531
N-[(2Z)-2-[(3-bromo-4-chlorophenyl)methylidene]-3-methylbutyl]cyclopropanamine
CID 83241300
N-[(2Z)-2-[(5-bromo-2-chlorophenyl)methylidene]butyl]cyclopropanamine
CID 114077256
(E)-4-(2,4-dichlorophenyl)-3-methylbut-3-en-2-ol
CID 103091134
2,4-dichloro-1-(2,2-difluoroethenyl)benzene
CID 101499085
N-cyclopropyl-N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]oxamide
CID 6150186
N-(5-chloro-2-methylphenyl)-2-(cyclopropylamino)acetamide
CID 43405290
2-(cyclopentylamino)-N-(2,4-dichlorophenyl)acetamide
CID 9465920

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,4-dichlorophenyl)-2-methylprop-2-enyl]cyclopropanamine?
The IUPAC name of N-[3-(2,4-dichlorophenyl)-2-methylprop-2-enyl]cyclopropanamine (CID 79340534) is N-[3-(2,4-dichlorophenyl)-2-methylprop-2-enyl]cyclopropanamine.
What is the SMILES notation for N-[3-(2,4-dichlorophenyl)-2-methylprop-2-enyl]cyclopropanamine?
The canonical SMILES for N-[3-(2,4-dichlorophenyl)-2-methylprop-2-enyl]cyclopropanamine is CC(=Cc1ccc(Cl)cc1Cl)CNC1CC1.
What is the InChIKey of N-[3-(2,4-dichlorophenyl)-2-methylprop-2-enyl]cyclopropanamine?
The InChIKey is OEUSWLYNNMTREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N/c1-9(8-16-12-4-5-12)6-10-2-3-11(14)7-13(10)15/h2-3,6-7,12,16H,4-5,8H2,1H3.
What are the key properties of N-[3-(2,4-dichlorophenyl)-2-methylprop-2-enyl]cyclopropanamine?
N-[3-(2,4-dichlorophenyl)-2-methylprop-2-enyl]cyclopropanamine has a molecular weight of 256.18 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,4-dichlorophenyl)-2-methylprop-2-enyl]cyclopropanamine is sourced from PubChem (CID 79340534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).