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

C20H20N2 — CID 22315939

IUPAC4-[[4-[(4-aminophenyl)methyl]phenyl]methyl]aniline
SMILESNc1ccc(Cc2ccc(Cc3ccc(N)cc3)cc2)cc1
InChIInChI=1S/C20H20N2/c21-19-9-5-17(6-10-19)13-15-1-2-16(4-3-15)14-18-7-11-20(22)12-8-18/h1-12H,13-14,21-22H2
InChIKeyPBPYNPXJEIOCEL-UHFFFAOYSA-N
MW288.39 g/mol
LogP4.03
Rot. Bonds4

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

4-[[4-[(4-aminophenyl)methyl]phenyl]methyl]aniline (PubChem CID 22315939) has the molecular formula C20H20N2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 4-[[4-[(4-aminophenyl)methyl]phenyl]methyl]aniline.

Molecular Properties

Compound Name4-[[4-[(4-aminophenyl)methyl]phenyl]methyl]aniline
PubChem CID22315939
Molecular FormulaC20H20N2
Molecular Weight288.39 g/mol
Exact Mass288.16
IUPAC Name4-[[4-[(4-aminophenyl)methyl]phenyl]methyl]aniline
SMILESNc1ccc(Cc2ccc(Cc3ccc(N)cc3)cc2)cc1
InChIInChI=1S/C20H20N2/c21-19-9-5-17(6-10-19)13-15-1-2-16(4-3-15)14-18-7-11-20(22)12-8-18/h1-12H,13-14,21-22H2
InChIKeyPBPYNPXJEIOCEL-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': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[(4-aminophenyl)methyl]aniline;methane
CID 141439099
4-[(4-aminophenyl)methyl]aniline;hydrazine
CID 70467747
4-(4-aminophenyl)aniline;4-[(4-aminophenyl)methyl]aniline
CID 22262965
4-[(4-ethylphenyl)methyl]aniline
CID 39242922
4-[(4-aminophenyl)methyl]benzene-1,2-diamine
CID 22022535
4-[(4-aminophenyl)methyl]aniline;isocyanic acid
CID 172777036
4-[(4-tert-butylphenyl)methyl]aniline
CID 12587648
4-[[4-(phosphanylamino)phenyl]methyl]aniline
CID 22892086
5-[(4-aminophenyl)methyl]-2-methylbenzene-1,3-diamine
CID 3020827
4-[(4-aminophenyl)methyl]aniline;4-[2-(4-aminophenyl)propan-2-yl]aniline
CID 160813980
5-[(4-aminophenyl)methyl]benzene-1,2,3-triol
CID 138643484
4-[[4-[[4-[[4-[[4-[(4-aminophenyl)methyl]-2-methylphenyl]methyl]phenyl]methyl]phenyl]methyl]-3-methylphenyl]methyl]aniline
CID 18976911

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(4-aminophenyl)methyl]phenyl]methyl]aniline?
The IUPAC name of 4-[[4-[(4-aminophenyl)methyl]phenyl]methyl]aniline (CID 22315939) is 4-[[4-[(4-aminophenyl)methyl]phenyl]methyl]aniline.
What is the SMILES notation for 4-[[4-[(4-aminophenyl)methyl]phenyl]methyl]aniline?
The canonical SMILES for 4-[[4-[(4-aminophenyl)methyl]phenyl]methyl]aniline is Nc1ccc(Cc2ccc(Cc3ccc(N)cc3)cc2)cc1.
What is the InChIKey of 4-[[4-[(4-aminophenyl)methyl]phenyl]methyl]aniline?
The InChIKey is PBPYNPXJEIOCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2/c21-19-9-5-17(6-10-19)13-15-1-2-16(4-3-15)14-18-7-11-20(22)12-8-18/h1-12H,13-14,21-22H2.
What are the key properties of 4-[[4-[(4-aminophenyl)methyl]phenyl]methyl]aniline?
4-[[4-[(4-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 4-[[4-[(4-aminophenyl)methyl]phenyl]methyl]aniline is sourced from PubChem (CID 22315939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).