2-[[4-[(2-aminophenyl)methyl]phenyl]methyl]aniline

C20H20N2 — CID 142730612

IUPAC2-[[4-[(2-aminophenyl)methyl]phenyl]methyl]aniline
SMILESNc1ccccc1Cc1ccc(Cc2ccccc2N)cc1
InChIInChI=1S/C20H20N2/c21-19-7-3-1-5-17(19)13-15-9-11-16(12-10-15)14-18-6-2-4-8-20(18)22/h1-12H,13-14,21-22H2
InChIKeyVYXYUYNLLUSVNO-UHFFFAOYSA-N
MW288.39 g/mol
LogP4.03
Rot. Bonds4

About 2-[[4-[(2-aminophenyl)methyl]phenyl]methyl]aniline

2-[[4-[(2-aminophenyl)methyl]phenyl]methyl]aniline (PubChem CID 142730612) has the molecular formula C20H20N2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-[[4-[(2-aminophenyl)methyl]phenyl]methyl]aniline.

Molecular Properties

Compound Name2-[[4-[(2-aminophenyl)methyl]phenyl]methyl]aniline
PubChem CID142730612
Molecular FormulaC20H20N2
Molecular Weight288.39 g/mol
Exact Mass288.16
IUPAC Name2-[[4-[(2-aminophenyl)methyl]phenyl]methyl]aniline
SMILESNc1ccccc1Cc1ccc(Cc2ccccc2N)cc1
InChIInChI=1S/C20H20N2/c21-19-7-3-1-5-17(19)13-15-9-11-16(12-10-15)14-18-6-2-4-8-20(18)22/h1-12H,13-14,21-22H2
InChIKeyVYXYUYNLLUSVNO-UHFFFAOYSA-N
XLogP4.03
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-chlorophenyl)methyl]aniline
CID 18412139
2-[(4-ethylphenyl)methyl]aniline
CID 11572028
methanamine;2-[(4-phenylphenyl)methyl]aniline
CID 144956661
4-[(2-aminophenyl)methyl]benzoic acid
CID 22360767
acetic acid;2-benzylaniline
CID 174872932
[4-[(2-aminophenyl)methyl]phenyl]urea
CID 139902177
2-[(2-aminophenyl)methyl]aniline;aniline
CID 158811697
2-[(3-fluorophenyl)methyl]aniline
CID 105453525
2-[(2-fluorophenyl)methyl]aniline
CID 21497428
2-[(2-iodophenyl)methyl]aniline
CID 69343574
2-[(5-chlorothiophen-3-yl)methyl]aniline
CID 12750563
2-benzylaniline;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 174408593

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(2-aminophenyl)methyl]phenyl]methyl]aniline?
The IUPAC name of 2-[[4-[(2-aminophenyl)methyl]phenyl]methyl]aniline (CID 142730612) is 2-[[4-[(2-aminophenyl)methyl]phenyl]methyl]aniline.
What is the SMILES notation for 2-[[4-[(2-aminophenyl)methyl]phenyl]methyl]aniline?
The canonical SMILES for 2-[[4-[(2-aminophenyl)methyl]phenyl]methyl]aniline is Nc1ccccc1Cc1ccc(Cc2ccccc2N)cc1.
What is the InChIKey of 2-[[4-[(2-aminophenyl)methyl]phenyl]methyl]aniline?
The InChIKey is VYXYUYNLLUSVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2/c21-19-7-3-1-5-17(19)13-15-9-11-16(12-10-15)14-18-6-2-4-8-20(18)22/h1-12H,13-14,21-22H2.
What are the key properties of 2-[[4-[(2-aminophenyl)methyl]phenyl]methyl]aniline?
2-[[4-[(2-aminophenyl)methyl]phenyl]methyl]aniline has a molecular weight of 288.39 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(2-aminophenyl)methyl]phenyl]methyl]aniline is sourced from PubChem (CID 142730612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).