3-[(2,3-dihydro-1H-inden-1-ylamino)methyl]benzonitrile

C17H16N2 — CID 43181888

IUPAC3-[(2,3-dihydro-1H-inden-1-ylamino)methyl]benzonitrile
SMILESN#Cc1cccc(CNC2CCc3ccccc32)c1
InChIInChI=1S/C17H16N2/c18-11-13-4-3-5-14(10-13)12-19-17-9-8-15-6-1-2-7-16(15)17/h1-7,10,17,19H,8-9,12H2
InChIKeySYICSWBRPGXMEE-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.34
Rot. Bonds3

About 3-[(2,3-dihydro-1H-inden-1-ylamino)methyl]benzonitrile

3-[(2,3-dihydro-1H-inden-1-ylamino)methyl]benzonitrile (PubChem CID 43181888) has the molecular formula C17H16N2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-[(2,3-dihydro-1H-inden-1-ylamino)methyl]benzonitrile.

Molecular Properties

Compound Name3-[(2,3-dihydro-1H-inden-1-ylamino)methyl]benzonitrile
PubChem CID43181888
Molecular FormulaC17H16N2
Molecular Weight248.33 g/mol
Exact Mass248.13
IUPAC Name3-[(2,3-dihydro-1H-inden-1-ylamino)methyl]benzonitrile
SMILESN#Cc1cccc(CNC2CCc3ccccc32)c1
InChIInChI=1S/C17H16N2/c18-11-13-4-3-5-14(10-13)12-19-17-9-8-15-6-1-2-7-16(15)17/h1-7,10,17,19H,8-9,12H2
InChIKeySYICSWBRPGXMEE-UHFFFAOYSA-N
XLogP3.34
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]benzonitrile
CID 22608163
3-[(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)methyl]benzonitrile
CID 60918207
5-[(2,3-dihydro-1H-inden-1-ylamino)methyl]thiophene-3-carbonitrile
CID 79544753
3-[(2,3-dihydro-1-benzofuran-3-ylamino)methyl]benzonitrile
CID 63378992
N-[[3-(difluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-1-amine
CID 115526029
3-[(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)methyl]benzonitrile
CID 43208274
3-[[[3-(2-fluorophenyl)cyclobutyl]amino]methyl]benzonitrile
CID 60919127
N-[(4-iodophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 65477774
N-[(3-chloro-4-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 62537600
N-(1,3-benzodioxol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 43202744
N-[(3-bromo-4-chlorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 83235273
3-[[(2,3-dimethylcyclopentyl)amino]methyl]benzonitrile
CID 64908206

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-dihydro-1H-inden-1-ylamino)methyl]benzonitrile?
The IUPAC name of 3-[(2,3-dihydro-1H-inden-1-ylamino)methyl]benzonitrile (CID 43181888) is 3-[(2,3-dihydro-1H-inden-1-ylamino)methyl]benzonitrile.
What is the SMILES notation for 3-[(2,3-dihydro-1H-inden-1-ylamino)methyl]benzonitrile?
The canonical SMILES for 3-[(2,3-dihydro-1H-inden-1-ylamino)methyl]benzonitrile is N#Cc1cccc(CNC2CCc3ccccc32)c1.
What is the InChIKey of 3-[(2,3-dihydro-1H-inden-1-ylamino)methyl]benzonitrile?
The InChIKey is SYICSWBRPGXMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2/c18-11-13-4-3-5-14(10-13)12-19-17-9-8-15-6-1-2-7-16(15)17/h1-7,10,17,19H,8-9,12H2.
What are the key properties of 3-[(2,3-dihydro-1H-inden-1-ylamino)methyl]benzonitrile?
3-[(2,3-dihydro-1H-inden-1-ylamino)methyl]benzonitrile has a molecular weight of 248.33 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-dihydro-1H-inden-1-ylamino)methyl]benzonitrile is sourced from PubChem (CID 43181888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).