3-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]benzonitrile

C18H18N2 — CID 22608163

IUPAC3-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]benzonitrile
SMILESN#Cc1cccc(CNC2CCCc3ccccc32)c1
InChIInChI=1S/C18H18N2/c19-12-14-5-3-6-15(11-14)13-20-18-10-4-8-16-7-1-2-9-17(16)18/h1-3,5-7,9,11,18,20H,4,8,10,13H2
InChIKeyQGLYMFFMGLVVTF-UHFFFAOYSA-N
MW262.36 g/mol
LogP3.73
Rot. Bonds3

About 3-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]benzonitrile

3-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]benzonitrile (PubChem CID 22608163) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 3-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]benzonitrile.

Molecular Properties

Compound Name3-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]benzonitrile
PubChem CID22608163
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC Name3-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]benzonitrile
SMILESN#Cc1cccc(CNC2CCCc3ccccc32)c1
InChIInChI=1S/C18H18N2/c19-12-14-5-3-6-15(11-14)13-20-18-10-4-8-16-7-1-2-9-17(16)18/h1-3,5-7,9,11,18,20H,4,8,10,13H2
InChIKeyQGLYMFFMGLVVTF-UHFFFAOYSA-N
XLogP3.73
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)methyl]benzonitrile
CID 60918207
3-[(2,3-dihydro-1H-inden-1-ylamino)methyl]benzonitrile
CID 43181888
3-[(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)methyl]benzonitrile
CID 43208274
3-[(2,3-dihydro-1-benzofuran-3-ylamino)methyl]benzonitrile
CID 63378992
N-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 3755839
N-(1,3-benzodioxol-5-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 2853101
N-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine;hydrobromide
CID 75531448
2,6-dibromo-4-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]phenol
CID 103602756
5-[(2,3-dihydro-1H-inden-1-ylamino)methyl]thiophene-3-carbonitrile
CID 79544753
2-(3-cyanophenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 4819137
3-[[[3-(2-fluorophenyl)cyclobutyl]amino]methyl]benzonitrile
CID 60919127
3-[[[(1R,2S)-2-hydroxycyclohexyl]amino]methyl]benzonitrile
CID 93355798

Frequently Asked Questions

What is the IUPAC name of 3-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]benzonitrile?
The IUPAC name of 3-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]benzonitrile (CID 22608163) is 3-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]benzonitrile.
What is the SMILES notation for 3-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]benzonitrile?
The canonical SMILES for 3-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]benzonitrile is N#Cc1cccc(CNC2CCCc3ccccc32)c1.
What is the InChIKey of 3-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]benzonitrile?
The InChIKey is QGLYMFFMGLVVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2/c19-12-14-5-3-6-15(11-14)13-20-18-10-4-8-16-7-1-2-9-17(16)18/h1-3,5-7,9,11,18,20H,4,8,10,13H2.
What are the key properties of 3-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]benzonitrile?
3-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]benzonitrile has a molecular weight of 262.36 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]benzonitrile is sourced from PubChem (CID 22608163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).