2-[[(4-ethylphenyl)methylamino]methyl]butanenitrile

C14H20N2 — CID 115253744

IUPAC2-[[(4-ethylphenyl)methylamino]methyl]butanenitrile
SMILESCCc1ccc(CNCC(C#N)CC)cc1
InChIInChI=1S/C14H20N2/c1-3-12-5-7-14(8-6-12)11-16-10-13(4-2)9-15/h5-8,13,16H,3-4,10-11H2,1-2H3
InChIKeySMFUBNIZABBTHK-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.89
Rot. Bonds6

About 2-[[(4-ethylphenyl)methylamino]methyl]butanenitrile

2-[[(4-ethylphenyl)methylamino]methyl]butanenitrile (PubChem CID 115253744) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 2-[[(4-ethylphenyl)methylamino]methyl]butanenitrile.

Molecular Properties

Compound Name2-[[(4-ethylphenyl)methylamino]methyl]butanenitrile
PubChem CID115253744
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name2-[[(4-ethylphenyl)methylamino]methyl]butanenitrile
SMILESCCc1ccc(CNCC(C#N)CC)cc1
InChIInChI=1S/C14H20N2/c1-3-12-5-7-14(8-6-12)11-16-10-13(4-2)9-15/h5-8,13,16H,3-4,10-11H2,1-2H3
InChIKeySMFUBNIZABBTHK-UHFFFAOYSA-N
XLogP2.89
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)methyl]butanenitrile
CID 115253758
2-[[(3-fluoro-4-methoxyphenyl)methylamino]methyl]butanenitrile
CID 115253760
2-[(2-pyridin-4-ylethylamino)methyl]butanenitrile
CID 115254073
2-[[(2-bromophenyl)methylamino]methyl]butanenitrile
CID 115253867
2-[(4-ethylphenyl)sulfanylmethyl]butanenitrile
CID 139616161
2-[[(4-tert-butyl-2-methylphenyl)methylamino]methyl]butanenitrile
CID 115253828
2-[[(4-butan-2-ylphenyl)methylamino]methyl]-3-methylbutanenitrile
CID 115254458
2-[(benzylamino)methyl]-3-hydroxypentanenitrile
CID 19099320
2-[[2-(2-methylphenyl)ethylamino]methyl]butanenitrile
CID 115254066
3-[(4-ethylphenyl)methylamino]-2,2-dimethylpropanenitrile
CID 104587185
N-[(4-ethylphenyl)methyl]-2-phenylpropan-1-amine
CID 43079999
2-[[2-(4-ethylphenyl)ethyl-methylamino]methyl]butanenitrile
CID 115254101

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-ethylphenyl)methylamino]methyl]butanenitrile?
The IUPAC name of 2-[[(4-ethylphenyl)methylamino]methyl]butanenitrile (CID 115253744) is 2-[[(4-ethylphenyl)methylamino]methyl]butanenitrile.
What is the SMILES notation for 2-[[(4-ethylphenyl)methylamino]methyl]butanenitrile?
The canonical SMILES for 2-[[(4-ethylphenyl)methylamino]methyl]butanenitrile is CCc1ccc(CNCC(C#N)CC)cc1.
What is the InChIKey of 2-[[(4-ethylphenyl)methylamino]methyl]butanenitrile?
The InChIKey is SMFUBNIZABBTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-3-12-5-7-14(8-6-12)11-16-10-13(4-2)9-15/h5-8,13,16H,3-4,10-11H2,1-2H3.
What are the key properties of 2-[[(4-ethylphenyl)methylamino]methyl]butanenitrile?
2-[[(4-ethylphenyl)methylamino]methyl]butanenitrile has a molecular weight of 216.33 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-ethylphenyl)methylamino]methyl]butanenitrile is sourced from PubChem (CID 115253744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).