1-[[2-(4-ethylphenyl)ethylamino]methyl]cyclopropane-1-carbonitrile

C15H20N2 — CID 115242451

IUPAC1-[[2-(4-ethylphenyl)ethylamino]methyl]cyclopropane-1-carbonitrile
SMILESCCc1ccc(CCNCC2(C#N)CC2)cc1
InChIInChI=1S/C15H20N2/c1-2-13-3-5-14(6-4-13)7-10-17-12-15(11-16)8-9-15/h3-6,17H,2,7-10,12H2,1H3
InChIKeyXVCJXEVWXCHDSR-UHFFFAOYSA-N
MW228.34 g/mol
LogP2.68
Rot. Bonds6

About 1-[[2-(4-ethylphenyl)ethylamino]methyl]cyclopropane-1-carbonitrile

1-[[2-(4-ethylphenyl)ethylamino]methyl]cyclopropane-1-carbonitrile (PubChem CID 115242451) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-[[2-(4-ethylphenyl)ethylamino]methyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[[2-(4-ethylphenyl)ethylamino]methyl]cyclopropane-1-carbonitrile
PubChem CID115242451
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name1-[[2-(4-ethylphenyl)ethylamino]methyl]cyclopropane-1-carbonitrile
SMILESCCc1ccc(CCNCC2(C#N)CC2)cc1
InChIInChI=1S/C15H20N2/c1-2-13-3-5-14(6-4-13)7-10-17-12-15(11-16)8-9-15/h3-6,17H,2,7-10,12H2,1H3
InChIKeyXVCJXEVWXCHDSR-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
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

3-[[2-(4-ethylphenyl)ethylamino]methyl]oxetane-3-carbonitrile
CID 115248124
1-[[2-(4-bromophenyl)ethylamino]methyl]cyclopropane-1-carbonitrile
CID 115242459
1-[[2-(3,4-dimethylphenyl)ethylamino]methyl]cyclopropane-1-carbonitrile
CID 115242454
1-[[2-(3-ethyl-4-methoxyphenyl)ethylamino]methyl]cyclopropane-1-carbonitrile
CID 115242493
1-[[2-(3-methylphenyl)ethylamino]methyl]cyclopropane-1-carbonitrile
CID 115242532
1-[[2-(3-bromo-4-methoxyphenyl)ethylamino]methyl]cyclopropane-1-carbonitrile
CID 115242478
1-[[2-(2-methylphenyl)ethylamino]methyl]cyclopropane-1-carbonitrile
CID 115242531
1-[[2-(4-methoxy-3,5-dimethylphenyl)ethylamino]methyl]cyclopropane-1-carbonitrile
CID 115242542
3-[[2-(4-fluorophenyl)ethylamino]methyl]oxetane-3-carbonitrile
CID 115248128
3-[[2-(4-propan-2-ylphenyl)ethylamino]methyl]oxetane-3-carbonitrile
CID 115248125
1-(propylaminomethyl)cyclopentane-1-carbonitrile
CID 166556871
1-[(4-ethylphenyl)methyl]cyclohexane-1-carbonitrile
CID 65378669

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-ethylphenyl)ethylamino]methyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[[2-(4-ethylphenyl)ethylamino]methyl]cyclopropane-1-carbonitrile (CID 115242451) is 1-[[2-(4-ethylphenyl)ethylamino]methyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[[2-(4-ethylphenyl)ethylamino]methyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[[2-(4-ethylphenyl)ethylamino]methyl]cyclopropane-1-carbonitrile is CCc1ccc(CCNCC2(C#N)CC2)cc1.
What is the InChIKey of 1-[[2-(4-ethylphenyl)ethylamino]methyl]cyclopropane-1-carbonitrile?
The InChIKey is XVCJXEVWXCHDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-2-13-3-5-14(6-4-13)7-10-17-12-15(11-16)8-9-15/h3-6,17H,2,7-10,12H2,1H3.
What are the key properties of 1-[[2-(4-ethylphenyl)ethylamino]methyl]cyclopropane-1-carbonitrile?
1-[[2-(4-ethylphenyl)ethylamino]methyl]cyclopropane-1-carbonitrile has a molecular weight of 228.34 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-ethylphenyl)ethylamino]methyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 115242451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).