2-(cyclopentylamino)-2-(2,4-dimethoxyphenyl)acetonitrile

C15H20N2O2 — CID 54894505

IUPAC2-(cyclopentylamino)-2-(2,4-dimethoxyphenyl)acetonitrile
SMILESCOc1ccc(C(C#N)NC2CCCC2)c(OC)c1
InChIInChI=1S/C15H20N2O2/c1-18-12-7-8-13(15(9-12)19-2)14(10-16)17-11-5-3-4-6-11/h7-9,11,14,17H,3-6H2,1-2H3
InChIKeyHFAWEMOAWVKOGW-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.80
Rot. Bonds5

About 2-(cyclopentylamino)-2-(2,4-dimethoxyphenyl)acetonitrile

2-(cyclopentylamino)-2-(2,4-dimethoxyphenyl)acetonitrile (PubChem CID 54894505) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-(cyclopentylamino)-2-(2,4-dimethoxyphenyl)acetonitrile.

Molecular Properties

Compound Name2-(cyclopentylamino)-2-(2,4-dimethoxyphenyl)acetonitrile
PubChem CID54894505
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-(cyclopentylamino)-2-(2,4-dimethoxyphenyl)acetonitrile
SMILESCOc1ccc(C(C#N)NC2CCCC2)c(OC)c1
InChIInChI=1S/C15H20N2O2/c1-18-12-7-8-13(15(9-12)19-2)14(10-16)17-11-5-3-4-6-11/h7-9,11,14,17H,3-6H2,1-2H3
InChIKeyHFAWEMOAWVKOGW-UHFFFAOYSA-N
XLogP2.80
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,4-dimethoxyphenyl)ethyl]cyclohexanamine
CID 43189974
2-(2,4-dimethoxyphenyl)-2-(propan-2-ylamino)acetonitrile
CID 43151527
2-(cyclopentylamino)-2-(2,4-dimethoxyphenyl)ethanol
CID 61056168
2-(cyclopropylamino)-2-(4-methoxyphenyl)acetonitrile
CID 43151709
2-(cyclopentylamino)-2-(3-fluoro-4-methoxyphenyl)acetonitrile
CID 65096678
2-(cyclohexylamino)-2-(4-methoxy-3-methylphenyl)acetonitrile
CID 62132442
2-(cyclohexylamino)-2-(3-fluoro-4-methoxyphenyl)acetonitrile
CID 65096727
2-(cycloheptylamino)-2-(3-fluoro-4-methoxyphenyl)acetonitrile
CID 65096774
2-(cyclopentylamino)-1-(2,4-dimethoxyphenyl)ethanol
CID 112501830
2-(2,4-dimethoxyphenyl)-2-(prop-2-enylamino)acetonitrile
CID 62355470
N-[1-(2,4-dimethoxyphenyl)ethyl]azepan-4-amine
CID 103981019
2-(2,4-dimethoxyphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetonitrile
CID 112500804

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-2-(2,4-dimethoxyphenyl)acetonitrile?
The IUPAC name of 2-(cyclopentylamino)-2-(2,4-dimethoxyphenyl)acetonitrile (CID 54894505) is 2-(cyclopentylamino)-2-(2,4-dimethoxyphenyl)acetonitrile.
What is the SMILES notation for 2-(cyclopentylamino)-2-(2,4-dimethoxyphenyl)acetonitrile?
The canonical SMILES for 2-(cyclopentylamino)-2-(2,4-dimethoxyphenyl)acetonitrile is COc1ccc(C(C#N)NC2CCCC2)c(OC)c1.
What is the InChIKey of 2-(cyclopentylamino)-2-(2,4-dimethoxyphenyl)acetonitrile?
The InChIKey is HFAWEMOAWVKOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-18-12-7-8-13(15(9-12)19-2)14(10-16)17-11-5-3-4-6-11/h7-9,11,14,17H,3-6H2,1-2H3.
What are the key properties of 2-(cyclopentylamino)-2-(2,4-dimethoxyphenyl)acetonitrile?
2-(cyclopentylamino)-2-(2,4-dimethoxyphenyl)acetonitrile has a molecular weight of 260.34 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-2-(2,4-dimethoxyphenyl)acetonitrile is sourced from PubChem (CID 54894505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).