2-[1-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]cyclopropyl]acetonitrile

C15H19ClN2 — CID 65493424

IUPAC2-[1-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]cyclopropyl]acetonitrile
SMILESCC(c1ccc(Cl)cc1)N(C)CC1(CC#N)CC1
InChIInChI=1S/C15H19ClN2/c1-12(13-3-5-14(16)6-4-13)18(2)11-15(7-8-15)9-10-17/h3-6,12H,7-9,11H2,1-2H3
InChIKeyRWHBLZJZCKRQCJ-UHFFFAOYSA-N
MW262.78 g/mol
LogP4.03
Rot. Bonds5

About 2-[1-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]cyclopropyl]acetonitrile

2-[1-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]cyclopropyl]acetonitrile (PubChem CID 65493424) has the molecular formula C15H19ClN2 and a molecular weight of 262.78 g/mol. Its IUPAC name is 2-[1-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]cyclopropyl]acetonitrile
PubChem CID65493424
Molecular FormulaC15H19ClN2
Molecular Weight262.78 g/mol
Exact Mass262.12
IUPAC Name2-[1-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]cyclopropyl]acetonitrile
SMILESCC(c1ccc(Cl)cc1)N(C)CC1(CC#N)CC1
InChIInChI=1S/C15H19ClN2/c1-12(13-3-5-14(16)6-4-13)18(2)11-15(7-8-15)9-10-17/h3-6,12H,7-9,11H2,1-2H3
InChIKeyRWHBLZJZCKRQCJ-UHFFFAOYSA-N
XLogP4.03
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.78
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]cyclopropyl]acetonitrile
CID 81353637
1-(4-chlorophenyl)-N-methyl-N-[(4-propylpiperidin-4-yl)methyl]ethanamine
CID 63129786
1-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]cyclobutan-1-amine
CID 81170816
1-(4-chlorophenyl)-N-methyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]ethanamine
CID 62985578
3-[1-(4-chlorophenyl)ethyl-methylamino]-2-methylpropanenitrile
CID 55149256
1-(4-chlorophenyl)-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]ethanamine
CID 62984001
1-(4-chlorophenyl)-N-methyl-N-[(2-methylpiperidin-2-yl)methyl]ethanamine
CID 104595035
2-[[(1R)-1-(4-chlorophenyl)ethyl]-methylamino]-N-(1-cyanocyclopentyl)acetamide
CID 95934995
N-(2-bromoethyl)-1-(4-chlorophenyl)-N-methylethanamine
CID 62984148
N-[1-(4-chlorophenyl)ethyl]-N-methylpropan-2-amine
CID 101225058
N'-[1-(4-chlorophenyl)ethyl]-N'-methylpropane-1,3-diamine
CID 62980472
N-[1-(4-chlorophenyl)ethyl]-1-cyano-N-methylcyclobutane-1-carboxamide
CID 80593462

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]cyclopropyl]acetonitrile (CID 65493424) is 2-[1-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]cyclopropyl]acetonitrile is CC(c1ccc(Cl)cc1)N(C)CC1(CC#N)CC1.
What is the InChIKey of 2-[1-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]cyclopropyl]acetonitrile?
The InChIKey is RWHBLZJZCKRQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2/c1-12(13-3-5-14(16)6-4-13)18(2)11-15(7-8-15)9-10-17/h3-6,12H,7-9,11H2,1-2H3.
What are the key properties of 2-[1-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]cyclopropyl]acetonitrile?
2-[1-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]cyclopropyl]acetonitrile has a molecular weight of 262.78 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 65493424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).