4-methyl-2-(3-phosphanylidenebutyl)aniline

C11H16NP — CID 90836095

IUPAC4-methyl-2-(3-phosphanylidenebutyl)aniline
SMILES[H]/P=C(\C)CCc1cc(C)ccc1N
InChIInChI=1S/C11H16NP/c1-8-3-6-11(12)10(7-8)5-4-9(2)13/h3,6-7,13H,4-5,12H2,1-2H3
InChIKeyXZBAYLLHLHLFIR-UHFFFAOYSA-N
MW193.23 g/mol
LogP2.84
Rot. Bonds3

About 4-methyl-2-(3-phosphanylidenebutyl)aniline

4-methyl-2-(3-phosphanylidenebutyl)aniline (PubChem CID 90836095) has the molecular formula C11H16NP and a molecular weight of 193.23 g/mol. Its IUPAC name is 4-methyl-2-(3-phosphanylidenebutyl)aniline.

Molecular Properties

Compound Name4-methyl-2-(3-phosphanylidenebutyl)aniline
PubChem CID90836095
Molecular FormulaC11H16NP
Molecular Weight193.23 g/mol
Exact Mass193.10
IUPAC Name4-methyl-2-(3-phosphanylidenebutyl)aniline
SMILES[H]/P=C(\C)CCc1cc(C)ccc1N
InChIInChI=1S/C11H16NP/c1-8-3-6-11(12)10(7-8)5-4-9(2)13/h3,6-7,13H,4-5,12H2,1-2H3
InChIKeyXZBAYLLHLHLFIR-UHFFFAOYSA-N
XLogP2.84
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.23
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(2-amino-5-methylphenyl)propanoic acid
CID 83852984
2-(3-ethylpent-3-enyl)-4-methylaniline
CID 91048575
3-(2-amino-5-methylphenyl)propan-1-ol
CID 58554503
4-methyl-2-(3-phenylpropyl)aniline
CID 67787992
2-chloro-4-methylaniline
CID 12007
2-(chloromethyl)-5-methylaniline
CID 91883475
1-(2-amino-4-methylphenyl)pentan-3-one;hydrochloride
CID 68905541
4-methyl-2-[(E)-3-methylpent-3-enyl]phenol
CID 102455257
2,4-dimethylaniline;methanol
CID 70633605
2-(2-amino-5-methylphenyl)-1-pyrrolidin-1-ylethanone
CID 99991735
2-[(dibenzylamino)methyl]-4-methylaniline
CID 130159961
butyl 2-(2-amino-5-methylphenyl)acetate
CID 99991630

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(3-phosphanylidenebutyl)aniline?
The IUPAC name of 4-methyl-2-(3-phosphanylidenebutyl)aniline (CID 90836095) is 4-methyl-2-(3-phosphanylidenebutyl)aniline.
What is the SMILES notation for 4-methyl-2-(3-phosphanylidenebutyl)aniline?
The canonical SMILES for 4-methyl-2-(3-phosphanylidenebutyl)aniline is [H]/P=C(\C)CCc1cc(C)ccc1N.
What is the InChIKey of 4-methyl-2-(3-phosphanylidenebutyl)aniline?
The InChIKey is XZBAYLLHLHLFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16NP/c1-8-3-6-11(12)10(7-8)5-4-9(2)13/h3,6-7,13H,4-5,12H2,1-2H3.
What are the key properties of 4-methyl-2-(3-phosphanylidenebutyl)aniline?
4-methyl-2-(3-phosphanylidenebutyl)aniline has a molecular weight of 193.23 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3-phosphanylidenebutyl)aniline is sourced from PubChem (CID 90836095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).