4-[(4-aminophenyl)methyl]aniline;4-[2-(4-aminophenyl)propan-2-yl]aniline

C28H32N4 — CID 160813980

IUPAC4-[(4-aminophenyl)methyl]aniline;4-[2-(4-aminophenyl)propan-2-yl]aniline
SMILESCC(C)(c1ccc(N)cc1)c1ccc(N)cc1.Nc1ccc(Cc2ccc(N)cc2)cc1
InChIInChI=1S/C15H18N2.C13H14N2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h3-10H,16-17H2,1-2H3;1-8H,9,14-15H2
InChIKeySEQXODPQMYYJLV-UHFFFAOYSA-N
MW424.59 g/mol
LogP5.62
Rot. Bonds4

About 4-[(4-aminophenyl)methyl]aniline;4-[2-(4-aminophenyl)propan-2-yl]aniline

4-[(4-aminophenyl)methyl]aniline;4-[2-(4-aminophenyl)propan-2-yl]aniline (PubChem CID 160813980) has the molecular formula C28H32N4 and a molecular weight of 424.59 g/mol. Its IUPAC name is 4-[(4-aminophenyl)methyl]aniline;4-[2-(4-aminophenyl)propan-2-yl]aniline.

Molecular Properties

Compound Name4-[(4-aminophenyl)methyl]aniline;4-[2-(4-aminophenyl)propan-2-yl]aniline
PubChem CID160813980
Molecular FormulaC28H32N4
Molecular Weight424.59 g/mol
Exact Mass424.26
IUPAC Name4-[(4-aminophenyl)methyl]aniline;4-[2-(4-aminophenyl)propan-2-yl]aniline
SMILESCC(C)(c1ccc(N)cc1)c1ccc(N)cc1.Nc1ccc(Cc2ccc(N)cc2)cc1
InChIInChI=1S/C15H18N2.C13H14N2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h3-10H,16-17H2,1-2H3;1-8H,9,14-15H2
InChIKeySEQXODPQMYYJLV-UHFFFAOYSA-N
XLogP5.62
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.59
LogP ≤ 55.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[(4-tert-butylphenyl)methyl]aniline
CID 12587648
4-[[4-[(4-aminophenyl)methyl]phenyl]methyl]aniline
CID 22315939
4-[[4-[2-[4-[(4-aminophenyl)methyl]phenyl]pentan-2-yl]phenyl]methyl]aniline
CID 22315966
4-[(4-aminophenyl)methyl]aniline;hydrazine
CID 70467747
4-[(4-aminophenyl)methyl]aniline;methane
CID 141439099
4-[[4-[2-[4-[(4-aminophenyl)methyl]phenyl]hexan-2-yl]phenyl]methyl]aniline
CID 22316027
4-[[4-[2-[4-[(4-aminophenyl)methyl]phenyl]heptan-2-yl]phenyl]methyl]aniline
CID 22316079
4-[(4-ethylphenyl)methyl]aniline
CID 39242922
4-[[4-[2-[4-[(4-aminophenyl)methyl]phenyl]decan-2-yl]phenyl]methyl]aniline
CID 22315979
4-[[4-[2-[4-[(4-aminophenyl)methyl]phenyl]tetradecan-2-yl]phenyl]methyl]aniline
CID 22316084
4-[4-(4-aminophenoxy)phenoxy]aniline;4-[4-[2-[4-(4-aminophenoxy)phenyl]propan-2-yl]phenoxy]aniline
CID 69301255
4-[2-(4-aminophenyl)propan-2-yl]benzene-1,2-diamine
CID 138517761

Frequently Asked Questions

What is the IUPAC name of 4-[(4-aminophenyl)methyl]aniline;4-[2-(4-aminophenyl)propan-2-yl]aniline?
The IUPAC name of 4-[(4-aminophenyl)methyl]aniline;4-[2-(4-aminophenyl)propan-2-yl]aniline (CID 160813980) is 4-[(4-aminophenyl)methyl]aniline;4-[2-(4-aminophenyl)propan-2-yl]aniline.
What is the SMILES notation for 4-[(4-aminophenyl)methyl]aniline;4-[2-(4-aminophenyl)propan-2-yl]aniline?
The canonical SMILES for 4-[(4-aminophenyl)methyl]aniline;4-[2-(4-aminophenyl)propan-2-yl]aniline is CC(C)(c1ccc(N)cc1)c1ccc(N)cc1.Nc1ccc(Cc2ccc(N)cc2)cc1.
What is the InChIKey of 4-[(4-aminophenyl)methyl]aniline;4-[2-(4-aminophenyl)propan-2-yl]aniline?
The InChIKey is SEQXODPQMYYJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2.C13H14N2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h3-10H,16-17H2,1-2H3;1-8H,9,14-15H2.
What are the key properties of 4-[(4-aminophenyl)methyl]aniline;4-[2-(4-aminophenyl)propan-2-yl]aniline?
4-[(4-aminophenyl)methyl]aniline;4-[2-(4-aminophenyl)propan-2-yl]aniline has a molecular weight of 424.59 g/mol, XLogP of 5.62, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-aminophenyl)methyl]aniline;4-[2-(4-aminophenyl)propan-2-yl]aniline is sourced from PubChem (CID 160813980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).