2-[1-[[(2-ethylphenyl)methylamino]methyl]cyclopropyl]acetonitrile

C15H20N2 — CID 65497124

IUPAC2-[1-[[(2-ethylphenyl)methylamino]methyl]cyclopropyl]acetonitrile
SMILESCCc1ccccc1CNCC1(CC#N)CC1
InChIInChI=1S/C15H20N2/c1-2-13-5-3-4-6-14(13)11-17-12-15(7-8-15)9-10-16/h3-6,17H,2,7-9,11-12H2,1H3
InChIKeyBUFYQRAARSXADI-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.03
Rot. Bonds6

About 2-[1-[[(2-ethylphenyl)methylamino]methyl]cyclopropyl]acetonitrile

2-[1-[[(2-ethylphenyl)methylamino]methyl]cyclopropyl]acetonitrile (PubChem CID 65497124) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-[1-[[(2-ethylphenyl)methylamino]methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[[(2-ethylphenyl)methylamino]methyl]cyclopropyl]acetonitrile
PubChem CID65497124
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name2-[1-[[(2-ethylphenyl)methylamino]methyl]cyclopropyl]acetonitrile
SMILESCCc1ccccc1CNCC1(CC#N)CC1
InChIInChI=1S/C15H20N2/c1-2-13-5-3-4-6-14(13)11-17-12-15(7-8-15)9-10-16/h3-6,17H,2,7-9,11-12H2,1H3
InChIKeyBUFYQRAARSXADI-UHFFFAOYSA-N
XLogP3.03
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(2-propylanilino)methyl]cyclopropyl]acetonitrile
CID 65496250
2-[1-[(2-phenylpropylamino)methyl]cyclopropyl]acetonitrile
CID 113430210
N-benzyl-2-[[1-(cyanomethyl)cyclopropyl]methylamino]acetamide
CID 65495607
2-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]benzonitrile
CID 104954545
2-[1-[(4-bromo-2-ethylanilino)methyl]cyclopropyl]acetonitrile
CID 81292455
2-[1-[(4-ethylanilino)methyl]cyclopropyl]acetonitrile
CID 65480751
2-[1-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]cyclopropyl]acetonitrile
CID 65481337
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(2-methylphenyl)methanamine
CID 115244158
N-[(2-ethylphenyl)methyl]prop-2-yn-1-amine
CID 62392759
2-[1-[(pentylamino)methyl]cyclopropyl]acetonitrile
CID 65479944
1-(2-ethoxyphenyl)-N-[(1-ethylcyclopropyl)methyl]methanamine
CID 103735607
2-[1-[(2-methylpropylamino)methyl]cyclopropyl]acetonitrile
CID 65481331

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(2-ethylphenyl)methylamino]methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[[(2-ethylphenyl)methylamino]methyl]cyclopropyl]acetonitrile (CID 65497124) is 2-[1-[[(2-ethylphenyl)methylamino]methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[[(2-ethylphenyl)methylamino]methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[[(2-ethylphenyl)methylamino]methyl]cyclopropyl]acetonitrile is CCc1ccccc1CNCC1(CC#N)CC1.
What is the InChIKey of 2-[1-[[(2-ethylphenyl)methylamino]methyl]cyclopropyl]acetonitrile?
The InChIKey is BUFYQRAARSXADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-2-13-5-3-4-6-14(13)11-17-12-15(7-8-15)9-10-16/h3-6,17H,2,7-9,11-12H2,1H3.
What are the key properties of 2-[1-[[(2-ethylphenyl)methylamino]methyl]cyclopropyl]acetonitrile?
2-[1-[[(2-ethylphenyl)methylamino]methyl]cyclopropyl]acetonitrile has a molecular weight of 228.34 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(2-ethylphenyl)methylamino]methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 65497124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).