1-[[(2-methoxy-5-methylphenyl)methylamino]methyl]cyclopropane-1-carbonitrile

C14H18N2O — CID 115242207

IUPAC1-[[(2-methoxy-5-methylphenyl)methylamino]methyl]cyclopropane-1-carbonitrile
SMILESCOc1ccc(C)cc1CNCC1(C#N)CC1
InChIInChI=1S/C14H18N2O/c1-11-3-4-13(17-2)12(7-11)8-16-10-14(9-15)5-6-14/h3-4,7,16H,5-6,8,10H2,1-2H3
InChIKeyKYYNDQRKFTVJMT-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.40
Rot. Bonds5

About 1-[[(2-methoxy-5-methylphenyl)methylamino]methyl]cyclopropane-1-carbonitrile

1-[[(2-methoxy-5-methylphenyl)methylamino]methyl]cyclopropane-1-carbonitrile (PubChem CID 115242207) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-[[(2-methoxy-5-methylphenyl)methylamino]methyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[[(2-methoxy-5-methylphenyl)methylamino]methyl]cyclopropane-1-carbonitrile
PubChem CID115242207
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name1-[[(2-methoxy-5-methylphenyl)methylamino]methyl]cyclopropane-1-carbonitrile
SMILESCOc1ccc(C)cc1CNCC1(C#N)CC1
InChIInChI=1S/C14H18N2O/c1-11-3-4-13(17-2)12(7-11)8-16-10-14(9-15)5-6-14/h3-4,7,16H,5-6,8,10H2,1-2H3
InChIKeyKYYNDQRKFTVJMT-UHFFFAOYSA-N
XLogP2.40
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclopropane-1-carbonitrile
CID 115242210
1-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]cyclopropane-1-carbonitrile
CID 115242214
1-[[(2-methoxy-4,5-dimethylphenyl)methylamino]methyl]cyclobutane-1-carbonitrile
CID 115245252
1-[(2-methoxy-5-methylphenyl)methyl]cyclobutane-1-carbonitrile
CID 65376622
1-[[(2-methoxy-5-methylphenyl)methylamino]methyl]-4-methylcyclohexan-1-ol
CID 65115646
N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-methoxy-5-methylphenyl)methanamine
CID 103838733
3-[[(2,5-dimethoxyphenyl)methylamino]methyl]oxetane-3-carbonitrile
CID 115247965
1-[[(2,4,5-trimethylphenyl)methylamino]methyl]cyclopropane-1-carbonitrile
CID 115242262
1-(2-methoxy-5-methylphenyl)-N-[(3-methyloxetan-3-yl)methyl]methanamine
CID 78957307
1-[[2-(2-methoxy-5-methylphenyl)ethyl-methylamino]methyl]cyclopropane-1-carbonitrile
CID 115242577
3-[(2-methoxy-5-methylphenyl)methyl]oxetane-3-carbonitrile
CID 116929919
1-[[2-(3-ethyl-4-methoxyphenyl)ethylamino]methyl]cyclopropane-1-carbonitrile
CID 115242493

Frequently Asked Questions

What is the IUPAC name of 1-[[(2-methoxy-5-methylphenyl)methylamino]methyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[[(2-methoxy-5-methylphenyl)methylamino]methyl]cyclopropane-1-carbonitrile (CID 115242207) is 1-[[(2-methoxy-5-methylphenyl)methylamino]methyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[[(2-methoxy-5-methylphenyl)methylamino]methyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[[(2-methoxy-5-methylphenyl)methylamino]methyl]cyclopropane-1-carbonitrile is COc1ccc(C)cc1CNCC1(C#N)CC1.
What is the InChIKey of 1-[[(2-methoxy-5-methylphenyl)methylamino]methyl]cyclopropane-1-carbonitrile?
The InChIKey is KYYNDQRKFTVJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-11-3-4-13(17-2)12(7-11)8-16-10-14(9-15)5-6-14/h3-4,7,16H,5-6,8,10H2,1-2H3.
What are the key properties of 1-[[(2-methoxy-5-methylphenyl)methylamino]methyl]cyclopropane-1-carbonitrile?
1-[[(2-methoxy-5-methylphenyl)methylamino]methyl]cyclopropane-1-carbonitrile has a molecular weight of 230.31 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2-methoxy-5-methylphenyl)methylamino]methyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 115242207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).