[2-(2-isocyanophenyl)phenyl]methanamine

C14H12N2 — CID 153485688

IUPAC[2-(2-isocyanophenyl)phenyl]methanamine
SMILES[C-]#[N+]c1ccccc1-c1ccccc1CN
InChIInChI=1S/C14H12N2/c1-16-14-9-5-4-8-13(14)12-7-3-2-6-11(12)10-15/h2-9H,10,15H2
InChIKeyYJRBTIYQRXBBKW-UHFFFAOYSA-N
MW208.26 g/mol
LogP3.36
Rot. Bonds2

About [2-(2-isocyanophenyl)phenyl]methanamine

[2-(2-isocyanophenyl)phenyl]methanamine (PubChem CID 153485688) has the molecular formula C14H12N2 and a molecular weight of 208.26 g/mol. Its IUPAC name is [2-(2-isocyanophenyl)phenyl]methanamine.

Molecular Properties

Compound Name[2-(2-isocyanophenyl)phenyl]methanamine
PubChem CID153485688
Molecular FormulaC14H12N2
Molecular Weight208.26 g/mol
Exact Mass208.10
IUPAC Name[2-(2-isocyanophenyl)phenyl]methanamine
SMILES[C-]#[N+]c1ccccc1-c1ccccc1CN
InChIInChI=1S/C14H12N2/c1-16-14-9-5-4-8-13(14)12-7-3-2-6-11(12)10-15/h2-9H,10,15H2
InChIKeyYJRBTIYQRXBBKW-UHFFFAOYSA-N
XLogP3.36
TPSA30.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

[2-[2-(aminomethyl)-4-chlorophenyl]phenyl]methanamine
CID 143648199
ethane;(2-phenylphenyl)methanamine
CID 142592948
2-[2-(aminomethyl)phenyl]-6-phenylaniline
CID 151108542
2-(2-isocyanophenyl)acetic acid
CID 53443625
[2-[2-(2-methoxyethoxy)phenyl]phenyl]methanamine
CID 104660838
4-amino-2-[2-(aminomethyl)phenyl]phenol
CID 22706655
[2-(2,5-dihydrofuran-3-yl)phenyl]methanamine
CID 105436151
[2-(1,3-thiazol-2-yl)phenyl]methanamine;hydrochloride
CID 52983593
[2-(2-chloro-5-fluorophenyl)phenyl]methanamine
CID 105395671
(2-quinolin-4-ylphenyl)methanamine
CID 150465725
1,2-difluoro-4-(2-isocyanophenyl)benzene
CID 176914767
4-(2-isocyanophenyl)dibenzothiophene
CID 170460075

Frequently Asked Questions

What is the IUPAC name of [2-(2-isocyanophenyl)phenyl]methanamine?
The IUPAC name of [2-(2-isocyanophenyl)phenyl]methanamine (CID 153485688) is [2-(2-isocyanophenyl)phenyl]methanamine.
What is the SMILES notation for [2-(2-isocyanophenyl)phenyl]methanamine?
The canonical SMILES for [2-(2-isocyanophenyl)phenyl]methanamine is [C-]#[N+]c1ccccc1-c1ccccc1CN.
What is the InChIKey of [2-(2-isocyanophenyl)phenyl]methanamine?
The InChIKey is YJRBTIYQRXBBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2/c1-16-14-9-5-4-8-13(14)12-7-3-2-6-11(12)10-15/h2-9H,10,15H2.
What are the key properties of [2-(2-isocyanophenyl)phenyl]methanamine?
[2-(2-isocyanophenyl)phenyl]methanamine has a molecular weight of 208.26 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-isocyanophenyl)phenyl]methanamine is sourced from PubChem (CID 153485688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).