5-[[2-(cyclopropylmethoxy)ethylamino]methyl]-2-methoxybenzonitrile

C15H20N2O2 — CID 103699306

IUPAC5-[[2-(cyclopropylmethoxy)ethylamino]methyl]-2-methoxybenzonitrile
SMILESCOc1ccc(CNCCOCC2CC2)cc1C#N
InChIInChI=1S/C15H20N2O2/c1-18-15-5-4-13(8-14(15)9-16)10-17-6-7-19-11-12-2-3-12/h4-5,8,12,17H,2-3,6-7,10-11H2,1H3
InChIKeyDWCWWACYXRQEAS-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.08
Rot. Bonds8

About 5-[[2-(cyclopropylmethoxy)ethylamino]methyl]-2-methoxybenzonitrile

5-[[2-(cyclopropylmethoxy)ethylamino]methyl]-2-methoxybenzonitrile (PubChem CID 103699306) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 5-[[2-(cyclopropylmethoxy)ethylamino]methyl]-2-methoxybenzonitrile.

Molecular Properties

Compound Name5-[[2-(cyclopropylmethoxy)ethylamino]methyl]-2-methoxybenzonitrile
PubChem CID103699306
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name5-[[2-(cyclopropylmethoxy)ethylamino]methyl]-2-methoxybenzonitrile
SMILESCOc1ccc(CNCCOCC2CC2)cc1C#N
InChIInChI=1S/C15H20N2O2/c1-18-15-5-4-13(8-14(15)9-16)10-17-6-7-19-11-12-2-3-12/h4-5,8,12,17H,2-3,6-7,10-11H2,1H3
InChIKeyDWCWWACYXRQEAS-UHFFFAOYSA-N
XLogP2.08
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-5-[[2-(3-methylbutoxy)ethylamino]methyl]benzonitrile
CID 65340715
2-methoxy-5-[[3-(2-methoxyethoxy)propylamino]methyl]benzonitrile
CID 65336445
3-(cyclopropylmethoxy)-N-[(4-methoxy-3-methylphenyl)methyl]propan-1-amine
CID 43233318
2-methoxy-5-[(2-phenylsulfanylethylamino)methyl]benzonitrile
CID 65340709
5-[[2-(dimethylamino)ethylamino]methyl]-2-methoxybenzonitrile
CID 65336385
5-[(cyclohex-3-en-1-ylmethylamino)methyl]-2-methoxybenzonitrile
CID 65340764
5-[(4-hydroxybutylamino)methyl]-2-methoxybenzonitrile
CID 106840557
2-methoxy-5-[(pent-4-ynylamino)methyl]benzonitrile
CID 103701664
2-methoxy-5-[[(2-methylcyclopropyl)methylamino]methyl]benzonitrile
CID 115652162
2-methoxy-5-[(3-phenylpropylamino)methyl]benzonitrile
CID 65336201
3-[(3-cyano-4-methoxyphenyl)methylamino]propanamide
CID 65335970
2-methoxy-5-[(4-methylsulfanylbutylamino)methyl]benzonitrile
CID 113243220

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(cyclopropylmethoxy)ethylamino]methyl]-2-methoxybenzonitrile?
The IUPAC name of 5-[[2-(cyclopropylmethoxy)ethylamino]methyl]-2-methoxybenzonitrile (CID 103699306) is 5-[[2-(cyclopropylmethoxy)ethylamino]methyl]-2-methoxybenzonitrile.
What is the SMILES notation for 5-[[2-(cyclopropylmethoxy)ethylamino]methyl]-2-methoxybenzonitrile?
The canonical SMILES for 5-[[2-(cyclopropylmethoxy)ethylamino]methyl]-2-methoxybenzonitrile is COc1ccc(CNCCOCC2CC2)cc1C#N.
What is the InChIKey of 5-[[2-(cyclopropylmethoxy)ethylamino]methyl]-2-methoxybenzonitrile?
The InChIKey is DWCWWACYXRQEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-18-15-5-4-13(8-14(15)9-16)10-17-6-7-19-11-12-2-3-12/h4-5,8,12,17H,2-3,6-7,10-11H2,1H3.
What are the key properties of 5-[[2-(cyclopropylmethoxy)ethylamino]methyl]-2-methoxybenzonitrile?
5-[[2-(cyclopropylmethoxy)ethylamino]methyl]-2-methoxybenzonitrile has a molecular weight of 260.34 g/mol, XLogP of 2.08, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(cyclopropylmethoxy)ethylamino]methyl]-2-methoxybenzonitrile is sourced from PubChem (CID 103699306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).