1-[[(2,4-dichlorophenyl)methylamino]methyl]cyclopropane-1-carbonitrile

C12H12Cl2N2 — CID 115242301

IUPAC1-[[(2,4-dichlorophenyl)methylamino]methyl]cyclopropane-1-carbonitrile
SMILESN#CC1(CNCc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C12H12Cl2N2/c13-10-2-1-9(11(14)5-10)6-16-8-12(7-15)3-4-12/h1-2,5,16H,3-4,6,8H2
InChIKeySSHFLAVLXXNVMB-UHFFFAOYSA-N
MW255.15 g/mol
LogP3.39
Rot. Bonds4

About 1-[[(2,4-dichlorophenyl)methylamino]methyl]cyclopropane-1-carbonitrile

1-[[(2,4-dichlorophenyl)methylamino]methyl]cyclopropane-1-carbonitrile (PubChem CID 115242301) has the molecular formula C12H12Cl2N2 and a molecular weight of 255.15 g/mol. Its IUPAC name is 1-[[(2,4-dichlorophenyl)methylamino]methyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[[(2,4-dichlorophenyl)methylamino]methyl]cyclopropane-1-carbonitrile
PubChem CID115242301
Molecular FormulaC12H12Cl2N2
Molecular Weight255.15 g/mol
Exact Mass254.04
IUPAC Name1-[[(2,4-dichlorophenyl)methylamino]methyl]cyclopropane-1-carbonitrile
SMILESN#CC1(CNCc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C12H12Cl2N2/c13-10-2-1-9(11(14)5-10)6-16-8-12(7-15)3-4-12/h1-2,5,16H,3-4,6,8H2
InChIKeySSHFLAVLXXNVMB-UHFFFAOYSA-N
XLogP3.39
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.15
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]cyclopropane-1-carbonitrile
CID 115242214
N-[[1-(chloromethyl)cyclopentyl]methyl]-1-(2,4-dichlorophenyl)methanamine
CID 115363288
1-(2,4-dichlorophenyl)-N-[(1-methylsulfanylcyclopentyl)methyl]methanamine
CID 114115787
1-[[(2,4,5-trimethylphenyl)methylamino]methyl]cyclopropane-1-carbonitrile
CID 115242262
2-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine
CID 17209606
N-[(2,4-dichlorophenyl)methyl]-3-fluoropropan-1-amine
CID 115733095
N-[(2-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)methanamine
CID 4715652
2-[1-[[2-(2,4-dichlorophenyl)ethylamino]methyl]cyclopropyl]acetonitrile
CID 65482531
1-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclopropane-1-carbonitrile
CID 115242210
1-[(2,4-dichlorophenyl)methyl]-4-ethylcyclohexane-1-carbonitrile
CID 65395763
1-[[(2-methoxy-5-methylphenyl)methylamino]methyl]cyclopropane-1-carbonitrile
CID 115242207
1-(2,4-dichlorophenyl)-N-methylmethanamine;ethane
CID 142839755

Frequently Asked Questions

What is the IUPAC name of 1-[[(2,4-dichlorophenyl)methylamino]methyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[[(2,4-dichlorophenyl)methylamino]methyl]cyclopropane-1-carbonitrile (CID 115242301) is 1-[[(2,4-dichlorophenyl)methylamino]methyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[[(2,4-dichlorophenyl)methylamino]methyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[[(2,4-dichlorophenyl)methylamino]methyl]cyclopropane-1-carbonitrile is N#CC1(CNCc2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 1-[[(2,4-dichlorophenyl)methylamino]methyl]cyclopropane-1-carbonitrile?
The InChIKey is SSHFLAVLXXNVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2/c13-10-2-1-9(11(14)5-10)6-16-8-12(7-15)3-4-12/h1-2,5,16H,3-4,6,8H2.
What are the key properties of 1-[[(2,4-dichlorophenyl)methylamino]methyl]cyclopropane-1-carbonitrile?
1-[[(2,4-dichlorophenyl)methylamino]methyl]cyclopropane-1-carbonitrile has a molecular weight of 255.15 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2,4-dichlorophenyl)methylamino]methyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 115242301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).