2-[1-[[2-(2,4-dichlorophenyl)ethylamino]methyl]cyclopropyl]acetonitrile

C14H16Cl2N2 — CID 65482531

IUPAC2-[1-[[2-(2,4-dichlorophenyl)ethylamino]methyl]cyclopropyl]acetonitrile
SMILESN#CCC1(CNCCc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C14H16Cl2N2/c15-12-2-1-11(13(16)9-12)3-8-18-10-14(4-5-14)6-7-17/h1-2,9,18H,3-6,8,10H2
InChIKeyJOOSGLVTVJJAPO-UHFFFAOYSA-N
MW283.20 g/mol
LogP3.82
Rot. Bonds6

About 2-[1-[[2-(2,4-dichlorophenyl)ethylamino]methyl]cyclopropyl]acetonitrile

2-[1-[[2-(2,4-dichlorophenyl)ethylamino]methyl]cyclopropyl]acetonitrile (PubChem CID 65482531) has the molecular formula C14H16Cl2N2 and a molecular weight of 283.20 g/mol. Its IUPAC name is 2-[1-[[2-(2,4-dichlorophenyl)ethylamino]methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[[2-(2,4-dichlorophenyl)ethylamino]methyl]cyclopropyl]acetonitrile
PubChem CID65482531
Molecular FormulaC14H16Cl2N2
Molecular Weight283.20 g/mol
Exact Mass282.07
IUPAC Name2-[1-[[2-(2,4-dichlorophenyl)ethylamino]methyl]cyclopropyl]acetonitrile
SMILESN#CCC1(CNCCc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C14H16Cl2N2/c15-12-2-1-11(13(16)9-12)3-8-18-10-14(4-5-14)6-7-17/h1-2,9,18H,3-6,8,10H2
InChIKeyJOOSGLVTVJJAPO-UHFFFAOYSA-N
XLogP3.82
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.20
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine
CID 17209606
2-[1-[(5-chloro-2-methylanilino)methyl]cyclopropyl]acetonitrile
CID 65479940
2-[1-[(5-chloro-2-fluoroanilino)methyl]cyclopropyl]acetonitrile
CID 65479769
1-[2-(2,4-dichlorophenyl)ethylamino]cyclohexane-1-carbonitrile
CID 28702772
2-[1-[(2-thiophen-2-ylethylamino)methyl]cyclopropyl]acetonitrile
CID 65480348
5-[2-(2,4-dichlorophenyl)ethylamino]-4,4-dimethylpentanenitrile
CID 115651127
1-[[(2,4-dichlorophenyl)methylamino]methyl]cyclopropane-1-carbonitrile
CID 115242301
N-[2-(2,4-dichlorophenyl)ethyl]-2,2-difluoroethanamine
CID 60921887
3-[2-(2,4-dichlorophenyl)ethylamino]propan-1-ol
CID 60672346
N-[[1-(chloromethyl)cyclopentyl]methyl]-1-(2,4-dichlorophenyl)methanamine
CID 115363288
N-[2-(2,4-dichlorophenyl)ethyl]-2-pyridin-4-ylethanamine
CID 60649518
1-[2-(2,4-dichlorophenyl)ethylamino]propan-2-ol
CID 60885182

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-(2,4-dichlorophenyl)ethylamino]methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[[2-(2,4-dichlorophenyl)ethylamino]methyl]cyclopropyl]acetonitrile (CID 65482531) is 2-[1-[[2-(2,4-dichlorophenyl)ethylamino]methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[[2-(2,4-dichlorophenyl)ethylamino]methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[[2-(2,4-dichlorophenyl)ethylamino]methyl]cyclopropyl]acetonitrile is N#CCC1(CNCCc2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 2-[1-[[2-(2,4-dichlorophenyl)ethylamino]methyl]cyclopropyl]acetonitrile?
The InChIKey is JOOSGLVTVJJAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2/c15-12-2-1-11(13(16)9-12)3-8-18-10-14(4-5-14)6-7-17/h1-2,9,18H,3-6,8,10H2.
What are the key properties of 2-[1-[[2-(2,4-dichlorophenyl)ethylamino]methyl]cyclopropyl]acetonitrile?
2-[1-[[2-(2,4-dichlorophenyl)ethylamino]methyl]cyclopropyl]acetonitrile has a molecular weight of 283.20 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-(2,4-dichlorophenyl)ethylamino]methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 65482531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).