2-[(2-aminophenyl)methyl]aniline;aniline

C19H21N3 — CID 158811697

IUPAC2-[(2-aminophenyl)methyl]aniline;aniline
SMILESNc1ccccc1.Nc1ccccc1Cc1ccccc1N
InChIInChI=1S/C13H14N2.C6H7N/c14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)15;7-6-4-2-1-3-5-6/h1-8H,9,14-15H2;1-5H,7H2
InChIKeyIUTSHBCWACFOEG-UHFFFAOYSA-N
MW291.40 g/mol
LogP3.71
Rot. Bonds2

About 2-[(2-aminophenyl)methyl]aniline;aniline

2-[(2-aminophenyl)methyl]aniline;aniline (PubChem CID 158811697) has the molecular formula C19H21N3 and a molecular weight of 291.40 g/mol. Its IUPAC name is 2-[(2-aminophenyl)methyl]aniline;aniline.

Molecular Properties

Compound Name2-[(2-aminophenyl)methyl]aniline;aniline
PubChem CID158811697
Molecular FormulaC19H21N3
Molecular Weight291.40 g/mol
Exact Mass291.17
IUPAC Name2-[(2-aminophenyl)methyl]aniline;aniline
SMILESNc1ccccc1.Nc1ccccc1Cc1ccccc1N
InChIInChI=1S/C13H14N2.C6H7N/c14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)15;7-6-4-2-1-3-5-6/h1-8H,9,14-15H2;1-5H,7H2
InChIKeyIUTSHBCWACFOEG-UHFFFAOYSA-N
XLogP3.71
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-[(2-aminophenyl)methyl]phenyl]methyl]aniline
CID 142730612
2-[(2-iodophenyl)methyl]aniline
CID 69343574
2-[(2-fluorophenyl)methyl]aniline
CID 21497428
6-[(2-aminophenyl)methyl]benzene-1,2,4-triamine
CID 101277558
zinc;aniline;dichloride
CID 70636252
aniline;azane
CID 171780637
aniline;mercury(2+)
CID 23616182
aniline;niobium
CID 161015220
aniline;mercury
CID 54604260
methanamine;2-[(4-phenylphenyl)methyl]aniline
CID 144956661
acetic acid;2-benzylaniline
CID 174872932
ethane;2-ethylaniline
CID 90841248

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminophenyl)methyl]aniline;aniline?
The IUPAC name of 2-[(2-aminophenyl)methyl]aniline;aniline (CID 158811697) is 2-[(2-aminophenyl)methyl]aniline;aniline.
What is the SMILES notation for 2-[(2-aminophenyl)methyl]aniline;aniline?
The canonical SMILES for 2-[(2-aminophenyl)methyl]aniline;aniline is Nc1ccccc1.Nc1ccccc1Cc1ccccc1N.
What is the InChIKey of 2-[(2-aminophenyl)methyl]aniline;aniline?
The InChIKey is IUTSHBCWACFOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2.C6H7N/c14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)15;7-6-4-2-1-3-5-6/h1-8H,9,14-15H2;1-5H,7H2.
What are the key properties of 2-[(2-aminophenyl)methyl]aniline;aniline?
2-[(2-aminophenyl)methyl]aniline;aniline has a molecular weight of 291.40 g/mol, XLogP of 3.71, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminophenyl)methyl]aniline;aniline is sourced from PubChem (CID 158811697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).