1-[[2-(2-methylphenyl)ethylamino]methyl]cyclopropane-1-carbonitrile

C14H18N2 — CID 115242531

IUPAC1-[[2-(2-methylphenyl)ethylamino]methyl]cyclopropane-1-carbonitrile
SMILESCc1ccccc1CCNCC1(C#N)CC1
InChIInChI=1S/C14H18N2/c1-12-4-2-3-5-13(12)6-9-16-11-14(10-15)7-8-14/h2-5,16H,6-9,11H2,1H3
InChIKeyKSUOLURIUJROLG-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.43
Rot. Bonds5

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

1-[[2-(2-methylphenyl)ethylamino]methyl]cyclopropane-1-carbonitrile (PubChem CID 115242531) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-[[2-(2-methylphenyl)ethylamino]methyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[[2-(2-methylphenyl)ethylamino]methyl]cyclopropane-1-carbonitrile
PubChem CID115242531
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name1-[[2-(2-methylphenyl)ethylamino]methyl]cyclopropane-1-carbonitrile
SMILESCc1ccccc1CCNCC1(C#N)CC1
InChIInChI=1S/C14H18N2/c1-12-4-2-3-5-13(12)6-9-16-11-14(10-15)7-8-14/h2-5,16H,6-9,11H2,1H3
InChIKeyKSUOLURIUJROLG-UHFFFAOYSA-N
XLogP2.43
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.43
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

1-[[2-(2-fluorophenyl)ethylamino]methyl]cyclobutane-1-carbonitrile
CID 115245457
1-[[2-(3,4-dimethylphenyl)ethylamino]methyl]cyclopropane-1-carbonitrile
CID 115242454
1-[[2-(4-ethylphenyl)ethylamino]methyl]cyclopropane-1-carbonitrile
CID 115242451
3-[[2-(2,5-dimethylphenyl)ethylamino]methyl]oxetane-3-carbonitrile
CID 115248127
1-[[2-(1-benzofuran-3-yl)ethylamino]methyl]cyclobutane-1-carbonitrile
CID 115245466
3-[[2-(2-bromophenyl)ethylamino]methyl]oxetane-3-carbonitrile
CID 115248180
1-[[2-(4-methoxy-3,5-dimethylphenyl)ethylamino]methyl]cyclopropane-1-carbonitrile
CID 115242542
1-[[2-(4-bromophenyl)ethylamino]methyl]cyclopropane-1-carbonitrile
CID 115242459
N-[2-(2-methylphenyl)ethyl]prop-2-yn-1-amine
CID 112722414
1-[[2-(2-methoxy-4,6-dimethylphenyl)ethylamino]methyl]cyclopropane-1-carbonitrile
CID 115242514
N-(cyanomethyl)-2-[2-(2-methylphenyl)ethylamino]acetamide
CID 79749194
N-methyl-N'-[2-(2-methylphenyl)ethyl]butane-1,4-diamine
CID 115202150

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2-methylphenyl)ethylamino]methyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[[2-(2-methylphenyl)ethylamino]methyl]cyclopropane-1-carbonitrile (CID 115242531) is 1-[[2-(2-methylphenyl)ethylamino]methyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[[2-(2-methylphenyl)ethylamino]methyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[[2-(2-methylphenyl)ethylamino]methyl]cyclopropane-1-carbonitrile is Cc1ccccc1CCNCC1(C#N)CC1.
What is the InChIKey of 1-[[2-(2-methylphenyl)ethylamino]methyl]cyclopropane-1-carbonitrile?
The InChIKey is KSUOLURIUJROLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-12-4-2-3-5-13(12)6-9-16-11-14(10-15)7-8-14/h2-5,16H,6-9,11H2,1H3.
What are the key properties of 1-[[2-(2-methylphenyl)ethylamino]methyl]cyclopropane-1-carbonitrile?
1-[[2-(2-methylphenyl)ethylamino]methyl]cyclopropane-1-carbonitrile has a molecular weight of 214.31 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2-methylphenyl)ethylamino]methyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 115242531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).