1-[[2-(3-methylphenyl)ethylamino]methyl]cyclopropane-1-carbonitrile

C14H18N2 — CID 115242532

IUPAC1-[[2-(3-methylphenyl)ethylamino]methyl]cyclopropane-1-carbonitrile
SMILESCc1cccc(CCNCC2(C#N)CC2)c1
InChIInChI=1S/C14H18N2/c1-12-3-2-4-13(9-12)5-8-16-11-14(10-15)6-7-14/h2-4,9,16H,5-8,11H2,1H3
InChIKeyMCKSBGOIDVCBHN-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.43
Rot. Bonds5

About 1-[[2-(3-methylphenyl)ethylamino]methyl]cyclopropane-1-carbonitrile

1-[[2-(3-methylphenyl)ethylamino]methyl]cyclopropane-1-carbonitrile (PubChem CID 115242532) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-[[2-(3-methylphenyl)ethylamino]methyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[[2-(3-methylphenyl)ethylamino]methyl]cyclopropane-1-carbonitrile
PubChem CID115242532
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name1-[[2-(3-methylphenyl)ethylamino]methyl]cyclopropane-1-carbonitrile
SMILESCc1cccc(CCNCC2(C#N)CC2)c1
InChIInChI=1S/C14H18N2/c1-12-3-2-4-13(9-12)5-8-16-11-14(10-15)6-7-14/h2-4,9,16H,5-8,11H2,1H3
InChIKeyMCKSBGOIDVCBHN-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-(3,4-dimethylphenyl)ethylamino]methyl]cyclopropane-1-carbonitrile
CID 115242454
1-[[2-(4-ethylphenyl)ethylamino]methyl]cyclopropane-1-carbonitrile
CID 115242451
1-[[2-(2-methylphenyl)ethylamino]methyl]cyclopropane-1-carbonitrile
CID 115242531
1-cyano-N-[2-(3-methylphenyl)ethyl]cyclobutane-1-carboxamide
CID 78994342
1-[[2-(4-bromophenyl)ethylamino]methyl]cyclopropane-1-carbonitrile
CID 115242459
1-[[2-(3-bromo-4-methoxyphenyl)ethylamino]methyl]cyclopropane-1-carbonitrile
CID 115242478
3-[[2-(3-bromophenyl)ethylamino]methyl]oxetane-3-carbonitrile
CID 115248168
1-[[2-(3-ethyl-4-methoxyphenyl)ethylamino]methyl]cyclopropane-1-carbonitrile
CID 115242493
2-(3-methylphenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 55062468
1-[[2-(2-methoxy-4,6-dimethylphenyl)ethylamino]methyl]cyclopropane-1-carbonitrile
CID 115242514
1-[2-(3-methylphenyl)ethylamino]propan-2-one
CID 115235071
3-[[2-(2,5-dimethylphenyl)ethylamino]methyl]oxetane-3-carbonitrile
CID 115248127

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(3-methylphenyl)ethylamino]methyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[[2-(3-methylphenyl)ethylamino]methyl]cyclopropane-1-carbonitrile (CID 115242532) is 1-[[2-(3-methylphenyl)ethylamino]methyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[[2-(3-methylphenyl)ethylamino]methyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[[2-(3-methylphenyl)ethylamino]methyl]cyclopropane-1-carbonitrile is Cc1cccc(CCNCC2(C#N)CC2)c1.
What is the InChIKey of 1-[[2-(3-methylphenyl)ethylamino]methyl]cyclopropane-1-carbonitrile?
The InChIKey is MCKSBGOIDVCBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-12-3-2-4-13(9-12)5-8-16-11-14(10-15)6-7-14/h2-4,9,16H,5-8,11H2,1H3.
What are the key properties of 1-[[2-(3-methylphenyl)ethylamino]methyl]cyclopropane-1-carbonitrile?
1-[[2-(3-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-(3-methylphenyl)ethylamino]methyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 115242532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).