2-[1-[(5-chloro-2-methylanilino)methyl]cyclopropyl]acetonitrile

C13H15ClN2 — CID 65479940

IUPAC2-[1-[(5-chloro-2-methylanilino)methyl]cyclopropyl]acetonitrile
SMILESCc1ccc(Cl)cc1NCC1(CC#N)CC1
InChIInChI=1S/C13H15ClN2/c1-10-2-3-11(14)8-12(10)16-9-13(4-5-13)6-7-15/h2-3,8,16H,4-6,9H2,1H3
InChIKeyATXZAAPSHGKYNT-UHFFFAOYSA-N
MW234.73 g/mol
LogP3.75
Rot. Bonds4

About 2-[1-[(5-chloro-2-methylanilino)methyl]cyclopropyl]acetonitrile

2-[1-[(5-chloro-2-methylanilino)methyl]cyclopropyl]acetonitrile (PubChem CID 65479940) has the molecular formula C13H15ClN2 and a molecular weight of 234.73 g/mol. Its IUPAC name is 2-[1-[(5-chloro-2-methylanilino)methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[(5-chloro-2-methylanilino)methyl]cyclopropyl]acetonitrile
PubChem CID65479940
Molecular FormulaC13H15ClN2
Molecular Weight234.73 g/mol
Exact Mass234.09
IUPAC Name2-[1-[(5-chloro-2-methylanilino)methyl]cyclopropyl]acetonitrile
SMILESCc1ccc(Cl)cc1NCC1(CC#N)CC1
InChIInChI=1S/C13H15ClN2/c1-10-2-3-11(14)8-12(10)16-9-13(4-5-13)6-7-15/h2-3,8,16H,4-6,9H2,1H3
InChIKeyATXZAAPSHGKYNT-UHFFFAOYSA-N
XLogP3.75
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(5-chloro-2-fluoroanilino)methyl]cyclopropyl]acetonitrile
CID 65479769
3-(5-chloro-2-methylanilino)propanenitrile
CID 39239305
2-[1-[(3-chloro-4-fluoroanilino)methyl]cyclopropyl]acetonitrile
CID 83107958
2-[1-[(2-methoxy-5-methylanilino)methyl]cyclopropyl]acetonitrile
CID 65482331
2-[1-[[2-(2,4-dichlorophenyl)ethylamino]methyl]cyclopropyl]acetonitrile
CID 65482531
[2-[[1-(cyanomethyl)cyclopropyl]methylamino]-4-methylphenyl]carbamic acid
CID 174198271
2-[1-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]cyclopropyl]acetonitrile
CID 81353637
2-[1-[(4-bromo-2-ethylanilino)methyl]cyclopropyl]acetonitrile
CID 81292455
2-[1-[(naphthalen-1-ylamino)methyl]cyclopropyl]acetonitrile
CID 65479545
2-[1-[(2-propylanilino)methyl]cyclopropyl]acetonitrile
CID 65496250
2-[1-[(2-bromo-5-fluoroanilino)methyl]cyclopropyl]acetonitrile
CID 107635993
N-(5-chloro-2-methylphenyl)-N',N'-dimethylethane-1,2-diamine
CID 28562912

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-chloro-2-methylanilino)methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[(5-chloro-2-methylanilino)methyl]cyclopropyl]acetonitrile (CID 65479940) is 2-[1-[(5-chloro-2-methylanilino)methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[(5-chloro-2-methylanilino)methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[(5-chloro-2-methylanilino)methyl]cyclopropyl]acetonitrile is Cc1ccc(Cl)cc1NCC1(CC#N)CC1.
What is the InChIKey of 2-[1-[(5-chloro-2-methylanilino)methyl]cyclopropyl]acetonitrile?
The InChIKey is ATXZAAPSHGKYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2/c1-10-2-3-11(14)8-12(10)16-9-13(4-5-13)6-7-15/h2-3,8,16H,4-6,9H2,1H3.
What are the key properties of 2-[1-[(5-chloro-2-methylanilino)methyl]cyclopropyl]acetonitrile?
2-[1-[(5-chloro-2-methylanilino)methyl]cyclopropyl]acetonitrile has a molecular weight of 234.73 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-chloro-2-methylanilino)methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 65479940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).