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

C13H15N2P — CID 22892086

IUPAC4-[[4-(phosphanylamino)phenyl]methyl]aniline
SMILESNc1ccc(Cc2ccc(NP)cc2)cc1
InChIInChI=1S/C13H15N2P/c14-12-5-1-10(2-6-12)9-11-3-7-13(15-16)8-4-11/h1-8,15H,9,14,16H2
InChIKeyMEAJUWBJXDULTI-UHFFFAOYSA-N
MW230.25 g/mol
LogP3.06
Rot. Bonds3

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

4-[[4-(phosphanylamino)phenyl]methyl]aniline (PubChem CID 22892086) has the molecular formula C13H15N2P and a molecular weight of 230.25 g/mol. Its IUPAC name is 4-[[4-(phosphanylamino)phenyl]methyl]aniline.

Molecular Properties

Compound Name4-[[4-(phosphanylamino)phenyl]methyl]aniline
PubChem CID22892086
Molecular FormulaC13H15N2P
Molecular Weight230.25 g/mol
Exact Mass230.10
IUPAC Name4-[[4-(phosphanylamino)phenyl]methyl]aniline
SMILESNc1ccc(Cc2ccc(NP)cc2)cc1
InChIInChI=1S/C13H15N2P/c14-12-5-1-10(2-6-12)9-11-3-7-13(15-16)8-4-11/h1-8,15H,9,14,16H2
InChIKeyMEAJUWBJXDULTI-UHFFFAOYSA-N
XLogP3.06
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.25
LogP ≤ 53.06
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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

4-[(4-aminophenyl)methyl]aniline;hydrazine
CID 70467747
4-[[4-[(4-aminophenyl)methyl]phenyl]methyl]aniline
CID 22315939
4-[(4-aminophenyl)methyl]aniline;methane
CID 141439099
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
benzene;4-ethyl-N-phosphanylaniline
CID 175020681
4-[(4-tert-butylphenyl)methyl]aniline
CID 12587648
1-[4-[(4-aminophenyl)methyl]anilino]butan-2-ol
CID 54013860
(Z)-4-[4-[(4-aminophenyl)methyl]anilino]-4-oxobut-2-enoic acid
CID 18877701
N-methyl-4-[[4-(methylamino)phenyl]methyl]aniline
CID 15735

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(phosphanylamino)phenyl]methyl]aniline?
The IUPAC name of 4-[[4-(phosphanylamino)phenyl]methyl]aniline (CID 22892086) is 4-[[4-(phosphanylamino)phenyl]methyl]aniline.
What is the SMILES notation for 4-[[4-(phosphanylamino)phenyl]methyl]aniline?
The canonical SMILES for 4-[[4-(phosphanylamino)phenyl]methyl]aniline is Nc1ccc(Cc2ccc(NP)cc2)cc1.
What is the InChIKey of 4-[[4-(phosphanylamino)phenyl]methyl]aniline?
The InChIKey is MEAJUWBJXDULTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N2P/c14-12-5-1-10(2-6-12)9-11-3-7-13(15-16)8-4-11/h1-8,15H,9,14,16H2.
What are the key properties of 4-[[4-(phosphanylamino)phenyl]methyl]aniline?
4-[[4-(phosphanylamino)phenyl]methyl]aniline has a molecular weight of 230.25 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(phosphanylamino)phenyl]methyl]aniline is sourced from PubChem (CID 22892086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).