4-(aminomethyl)-2-phenylmethoxybenzonitrile

C15H14N2O — CID 22476142

IUPAC4-(aminomethyl)-2-phenylmethoxybenzonitrile
SMILESN#Cc1ccc(CN)cc1OCc1ccccc1
InChIInChI=1S/C15H14N2O/c16-9-13-6-7-14(10-17)15(8-13)18-11-12-4-2-1-3-5-12/h1-8H,9,11,16H2
InChIKeyYGMQBHCDPUEQSV-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.60
Rot. Bonds4

About 4-(aminomethyl)-2-phenylmethoxybenzonitrile

4-(aminomethyl)-2-phenylmethoxybenzonitrile (PubChem CID 22476142) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-(aminomethyl)-2-phenylmethoxybenzonitrile.

Molecular Properties

Compound Name4-(aminomethyl)-2-phenylmethoxybenzonitrile
PubChem CID22476142
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name4-(aminomethyl)-2-phenylmethoxybenzonitrile
SMILESN#Cc1ccc(CN)cc1OCc1ccccc1
InChIInChI=1S/C15H14N2O/c16-9-13-6-7-14(10-17)15(8-13)18-11-12-4-2-1-3-5-12/h1-8H,9,11,16H2
InChIKeyYGMQBHCDPUEQSV-UHFFFAOYSA-N
XLogP2.60
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenylmethoxynaphthalene-2-carbonitrile
CID 86260131
4-nitro-2-phenylmethoxybenzonitrile
CID 11780048
4-(4-aminobut-1-enyl)-2-phenylmethoxybenzonitrile
CID 170487913
(4-methoxy-3-phenylmethoxyphenyl)methanamine
CID 12649335
4-azido-2-phenylmethoxybenzonitrile
CID 150250113
2-phenylmethoxybenzonitrile;propane
CID 142369146
(3-iodo-4-phenylmethoxyphenyl)methanamine
CID 169488711
4-bromo-2-[(4-bromophenyl)methoxy]benzonitrile
CID 114902529
4-phenylmethoxynaphthalene-1-carbonitrile
CID 23318695
2-methoxy-4-(phenylmethoxymethyl)benzonitrile
CID 106788482
4-(3-chloroprop-1-enyl)-2-phenylmethoxybenzonitrile
CID 169478283
4-(4-bromobut-1-ynyl)-2-phenylmethoxybenzonitrile
CID 170467104

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-phenylmethoxybenzonitrile?
The IUPAC name of 4-(aminomethyl)-2-phenylmethoxybenzonitrile (CID 22476142) is 4-(aminomethyl)-2-phenylmethoxybenzonitrile.
What is the SMILES notation for 4-(aminomethyl)-2-phenylmethoxybenzonitrile?
The canonical SMILES for 4-(aminomethyl)-2-phenylmethoxybenzonitrile is N#Cc1ccc(CN)cc1OCc1ccccc1.
What is the InChIKey of 4-(aminomethyl)-2-phenylmethoxybenzonitrile?
The InChIKey is YGMQBHCDPUEQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c16-9-13-6-7-14(10-17)15(8-13)18-11-12-4-2-1-3-5-12/h1-8H,9,11,16H2.
What are the key properties of 4-(aminomethyl)-2-phenylmethoxybenzonitrile?
4-(aminomethyl)-2-phenylmethoxybenzonitrile has a molecular weight of 238.29 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-phenylmethoxybenzonitrile is sourced from PubChem (CID 22476142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).