2,4,6-triethyl-3-methyl-5-phosphanylaniline

C13H22NP — CID 142461641

IUPAC2,4,6-triethyl-3-methyl-5-phosphanylaniline
SMILESCCc1c(C)c(CC)c(P)c(CC)c1N
InChIInChI=1S/C13H22NP/c1-5-9-8(4)10(6-2)13(15)11(7-3)12(9)14/h5-7,14-15H2,1-4H3
InChIKeyVQQWHFUZSLHRGQ-UHFFFAOYSA-N
MW223.30 g/mol
LogP2.76
Rot. Bonds3

About 2,4,6-triethyl-3-methyl-5-phosphanylaniline

2,4,6-triethyl-3-methyl-5-phosphanylaniline (PubChem CID 142461641) has the molecular formula C13H22NP and a molecular weight of 223.30 g/mol. Its IUPAC name is 2,4,6-triethyl-3-methyl-5-phosphanylaniline.

Molecular Properties

Compound Name2,4,6-triethyl-3-methyl-5-phosphanylaniline
PubChem CID142461641
Molecular FormulaC13H22NP
Molecular Weight223.30 g/mol
Exact Mass223.15
IUPAC Name2,4,6-triethyl-3-methyl-5-phosphanylaniline
SMILESCCc1c(C)c(CC)c(P)c(CC)c1N
InChIInChI=1S/C13H22NP/c1-5-9-8(4)10(6-2)13(15)11(7-3)12(9)14/h5-7,14-15H2,1-4H3
InChIKeyVQQWHFUZSLHRGQ-UHFFFAOYSA-N
XLogP2.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 52.76
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

4,5-diethyl-3,6-dimethylbenzene-1,2-diamine
CID 174838412
4,6-diamino-5-ethyl-2-methylbenzene-1,3-dithiol
CID 123643667
3-ethyl-2,5-dimethylbenzene-1,4-diamine;hydrochloride
CID 87710202
1-ethyl-4-(fluoromethyl)-2,3,5,6-tetramethylbenzene;fluoromethane
CID 91195776
5,6-dimethyl-3-phosphanylbenzene-1,2,4-triamine
CID 163738273
1-ethyl-2,3,5,6-tetramethyl-4-[(2,3,4,5,6-pentamethylphenyl)methyl]benzene
CID 20685020
5-ethyl-4,6-bis(ethylsulfanyl)-2-methylbenzene-1,3-diamine
CID 18676367
3-chloro-2-ethyl-4-fluoro-5,6-dimethylaniline
CID 166756160
4-(iodomethyl)-2,3,5,6-tetramethylaniline
CID 134361055
1-ethyl-4-[2-(4-ethyl-2,3,5,6-tetramethylphenyl)ethynyl]-2,3,5,6-tetramethylbenzene
CID 59872066
3-ethyl-2,4-dimethylaniline
CID 20714339
5-ethyl-6-methylpyridine-3,4-diamine
CID 157217081

Frequently Asked Questions

What is the IUPAC name of 2,4,6-triethyl-3-methyl-5-phosphanylaniline?
The IUPAC name of 2,4,6-triethyl-3-methyl-5-phosphanylaniline (CID 142461641) is 2,4,6-triethyl-3-methyl-5-phosphanylaniline.
What is the SMILES notation for 2,4,6-triethyl-3-methyl-5-phosphanylaniline?
The canonical SMILES for 2,4,6-triethyl-3-methyl-5-phosphanylaniline is CCc1c(C)c(CC)c(P)c(CC)c1N.
What is the InChIKey of 2,4,6-triethyl-3-methyl-5-phosphanylaniline?
The InChIKey is VQQWHFUZSLHRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22NP/c1-5-9-8(4)10(6-2)13(15)11(7-3)12(9)14/h5-7,14-15H2,1-4H3.
What are the key properties of 2,4,6-triethyl-3-methyl-5-phosphanylaniline?
2,4,6-triethyl-3-methyl-5-phosphanylaniline has a molecular weight of 223.30 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-triethyl-3-methyl-5-phosphanylaniline is sourced from PubChem (CID 142461641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).