3-methyl-4-[2-methyl-4-(phosphanylamino)phenyl]aniline

C14H17N2P — CID 130415083

IUPAC3-methyl-4-[2-methyl-4-(phosphanylamino)phenyl]aniline
SMILESCc1cc(N)ccc1-c1ccc(NP)cc1C
InChIInChI=1S/C14H17N2P/c1-9-7-11(15)3-5-13(9)14-6-4-12(16-17)8-10(14)2/h3-8,16H,15,17H2,1-2H3
InChIKeyMOMCKJWXTKHTFT-UHFFFAOYSA-N
MW244.28 g/mol
LogP3.75
Rot. Bonds2

About 3-methyl-4-[2-methyl-4-(phosphanylamino)phenyl]aniline

3-methyl-4-[2-methyl-4-(phosphanylamino)phenyl]aniline (PubChem CID 130415083) has the molecular formula C14H17N2P and a molecular weight of 244.28 g/mol. Its IUPAC name is 3-methyl-4-[2-methyl-4-(phosphanylamino)phenyl]aniline.

Molecular Properties

Compound Name3-methyl-4-[2-methyl-4-(phosphanylamino)phenyl]aniline
PubChem CID130415083
Molecular FormulaC14H17N2P
Molecular Weight244.28 g/mol
Exact Mass244.11
IUPAC Name3-methyl-4-[2-methyl-4-(phosphanylamino)phenyl]aniline
SMILESCc1cc(N)ccc1-c1ccc(NP)cc1C
InChIInChI=1S/C14H17N2P/c1-9-7-11(15)3-5-13(9)14-6-4-12(16-17)8-10(14)2/h3-8,16H,15,17H2,1-2H3
InChIKeyMOMCKJWXTKHTFT-UHFFFAOYSA-N
XLogP3.75
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(4-amino-2-ethylphenyl)-3-methylaniline
CID 118326748
4-(2-bromophenyl)-3-methylaniline
CID 115503554
2-methylbenzene-1,4-diamine;sulfane
CID 174900310
3-(2,4-dimethylphenyl)-4-methylaniline
CID 63334523
4-N-[4-(4-amino-2-methylphenyl)-3-(trifluoromethyl)phenyl]-1-N-[4-[4-amino-2-(trifluoromethyl)phenyl]-3-methylphenyl]benzene-1,4-dicarboxamide
CID 129012920
3-(4-amino-2-methylphenyl)-6-(hydroxyamino)-2-methylphenol
CID 154001742
4-(3-fluoro-2-methylphenyl)-3-methylaniline
CID 115502785
3-methyl-4-(5-methyl-3-pyridinyl)aniline
CID 115375020
4-(2-methoxy-3,4-dimethylphenyl)-3-methylaniline
CID 103434076
3-methyl-4-(3-methylthiophen-2-yl)aniline
CID 78973947
3-(2,4-dimethylphenyl)-4-fluoroaniline
CID 104781174
4-amino-2-(2,4-dimethylphenyl)phenol
CID 22706633

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[2-methyl-4-(phosphanylamino)phenyl]aniline?
The IUPAC name of 3-methyl-4-[2-methyl-4-(phosphanylamino)phenyl]aniline (CID 130415083) is 3-methyl-4-[2-methyl-4-(phosphanylamino)phenyl]aniline.
What is the SMILES notation for 3-methyl-4-[2-methyl-4-(phosphanylamino)phenyl]aniline?
The canonical SMILES for 3-methyl-4-[2-methyl-4-(phosphanylamino)phenyl]aniline is Cc1cc(N)ccc1-c1ccc(NP)cc1C.
What is the InChIKey of 3-methyl-4-[2-methyl-4-(phosphanylamino)phenyl]aniline?
The InChIKey is MOMCKJWXTKHTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N2P/c1-9-7-11(15)3-5-13(9)14-6-4-12(16-17)8-10(14)2/h3-8,16H,15,17H2,1-2H3.
What are the key properties of 3-methyl-4-[2-methyl-4-(phosphanylamino)phenyl]aniline?
3-methyl-4-[2-methyl-4-(phosphanylamino)phenyl]aniline has a molecular weight of 244.28 g/mol, XLogP of 3.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[2-methyl-4-(phosphanylamino)phenyl]aniline is sourced from PubChem (CID 130415083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).