2-[1-[(2-methoxy-5-methylanilino)methyl]cyclopropyl]acetonitrile

C14H18N2O — CID 65482331

IUPAC2-[1-[(2-methoxy-5-methylanilino)methyl]cyclopropyl]acetonitrile
SMILESCOc1ccc(C)cc1NCC1(CC#N)CC1
InChIInChI=1S/C14H18N2O/c1-11-3-4-13(17-2)12(9-11)16-10-14(5-6-14)7-8-15/h3-4,9,16H,5-7,10H2,1-2H3
InChIKeyDOIOICHGKOFYDB-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.11
Rot. Bonds5

About 2-[1-[(2-methoxy-5-methylanilino)methyl]cyclopropyl]acetonitrile

2-[1-[(2-methoxy-5-methylanilino)methyl]cyclopropyl]acetonitrile (PubChem CID 65482331) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[1-[(2-methoxy-5-methylanilino)methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[(2-methoxy-5-methylanilino)methyl]cyclopropyl]acetonitrile
PubChem CID65482331
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2-[1-[(2-methoxy-5-methylanilino)methyl]cyclopropyl]acetonitrile
SMILESCOc1ccc(C)cc1NCC1(CC#N)CC1
InChIInChI=1S/C14H18N2O/c1-11-3-4-13(17-2)12(9-11)16-10-14(5-6-14)7-8-15/h3-4,9,16H,5-7,10H2,1-2H3
InChIKeyDOIOICHGKOFYDB-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[[1-(cyanomethyl)cyclopropyl]methylamino]-4-methylphenyl]carbamic acid
CID 174198271
2-[1-[(5-chloro-2-methylanilino)methyl]cyclopropyl]acetonitrile
CID 65479940
2-[1-[(3-methoxyanilino)methyl]cyclopropyl]acetonitrile
CID 65480955
2-[1-[[2-methoxy-6-(trifluoromethoxy)anilino]methyl]cyclopropyl]acetonitrile
CID 167856876
2-[1-[(2-chloro-4-methylphenoxy)methyl]cyclopropyl]acetonitrile
CID 65492627
2-[1-[(5-chloro-2-fluoroanilino)methyl]cyclopropyl]acetonitrile
CID 65479769
N-(2-fluoroethyl)-2-methoxy-5-methylaniline
CID 80699786
N-(cyclopentylmethyl)-2-methoxy-5-methylaniline
CID 61344463
2-[1-[(2,5-dimethoxyanilino)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77071796
N-[[1-(aminomethyl)cyclopropyl]methyl]-2,4-dimethoxy-3-methylaniline
CID 115243877
2-[1-[(4-bromo-2-ethylanilino)methyl]cyclopropyl]acetonitrile
CID 81292455
2-[1-[[2-(chloromethyl)-4-methylphenoxy]methyl]cyclopropyl]acetonitrile
CID 65496732

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methoxy-5-methylanilino)methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[(2-methoxy-5-methylanilino)methyl]cyclopropyl]acetonitrile (CID 65482331) is 2-[1-[(2-methoxy-5-methylanilino)methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[(2-methoxy-5-methylanilino)methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[(2-methoxy-5-methylanilino)methyl]cyclopropyl]acetonitrile is COc1ccc(C)cc1NCC1(CC#N)CC1.
What is the InChIKey of 2-[1-[(2-methoxy-5-methylanilino)methyl]cyclopropyl]acetonitrile?
The InChIKey is DOIOICHGKOFYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-11-3-4-13(17-2)12(9-11)16-10-14(5-6-14)7-8-15/h3-4,9,16H,5-7,10H2,1-2H3.
What are the key properties of 2-[1-[(2-methoxy-5-methylanilino)methyl]cyclopropyl]acetonitrile?
2-[1-[(2-methoxy-5-methylanilino)methyl]cyclopropyl]acetonitrile has a molecular weight of 230.31 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methoxy-5-methylanilino)methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 65482331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).