4-[(4-aminophenyl)methyl]aniline;methane

C14H18N2 — CID 141439099

IUPAC4-[(4-aminophenyl)methyl]aniline;methane
SMILESC.Nc1ccc(Cc2ccc(N)cc2)cc1
InChIInChI=1S/C13H14N2.CH4/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11;/h1-8H,9,14-15H2;1H4
InChIKeyZCBLXDJWPDZOOJ-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.08
Rot. Bonds2

About 4-[(4-aminophenyl)methyl]aniline;methane

4-[(4-aminophenyl)methyl]aniline;methane (PubChem CID 141439099) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 4-[(4-aminophenyl)methyl]aniline;methane.

Molecular Properties

Compound Name4-[(4-aminophenyl)methyl]aniline;methane
PubChem CID141439099
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name4-[(4-aminophenyl)methyl]aniline;methane
SMILESC.Nc1ccc(Cc2ccc(N)cc2)cc1
InChIInChI=1S/C13H14N2.CH4/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11;/h1-8H,9,14-15H2;1H4
InChIKeyZCBLXDJWPDZOOJ-UHFFFAOYSA-N
XLogP3.08
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[(4-aminophenyl)methyl]phenyl]methyl]aniline
CID 22315939
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-ethylaniline;methane;4-[[4-[(4-methylphenyl)methyl]phenyl]methyl]aniline
CID 157414016
4-[(4-tert-butylphenyl)methyl]aniline
CID 12587648
benzene-1,4-diamine;methane
CID 158825195
4-[[4-(phosphanylamino)phenyl]methyl]aniline
CID 22892086
4-[(4-aminophenyl)methyl]aniline;4-[2-(4-aminophenyl)propan-2-yl]aniline
CID 160813980
5-[(4-aminophenyl)methyl]-2-methylbenzene-1,3-diamine
CID 3020827

Frequently Asked Questions

What is the IUPAC name of 4-[(4-aminophenyl)methyl]aniline;methane?
The IUPAC name of 4-[(4-aminophenyl)methyl]aniline;methane (CID 141439099) is 4-[(4-aminophenyl)methyl]aniline;methane.
What is the SMILES notation for 4-[(4-aminophenyl)methyl]aniline;methane?
The canonical SMILES for 4-[(4-aminophenyl)methyl]aniline;methane is C.Nc1ccc(Cc2ccc(N)cc2)cc1.
What is the InChIKey of 4-[(4-aminophenyl)methyl]aniline;methane?
The InChIKey is ZCBLXDJWPDZOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2.CH4/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11;/h1-8H,9,14-15H2;1H4.
What are the key properties of 4-[(4-aminophenyl)methyl]aniline;methane?
4-[(4-aminophenyl)methyl]aniline;methane has a molecular weight of 214.31 g/mol, XLogP of 3.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-aminophenyl)methyl]aniline;methane is sourced from PubChem (CID 141439099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).