5,6-dimethyl-3-phosphanylbenzene-1,2,4-triamine

C8H14N3P — CID 163738273

IUPAC5,6-dimethyl-3-phosphanylbenzene-1,2,4-triamine
SMILESCc1c(C)c(N)c(P)c(N)c1N
InChIInChI=1S/C8H14N3P/c1-3-4(2)6(10)8(12)7(11)5(3)9/h9-12H2,1-2H3
InChIKeyLFNXTJBITUNORJ-UHFFFAOYSA-N
MW183.19 g/mol
LogP0.55
Rot. Bonds

About 5,6-dimethyl-3-phosphanylbenzene-1,2,4-triamine

5,6-dimethyl-3-phosphanylbenzene-1,2,4-triamine (PubChem CID 163738273) has the molecular formula C8H14N3P and a molecular weight of 183.19 g/mol. Its IUPAC name is 5,6-dimethyl-3-phosphanylbenzene-1,2,4-triamine.

Molecular Properties

Compound Name5,6-dimethyl-3-phosphanylbenzene-1,2,4-triamine
PubChem CID163738273
Molecular FormulaC8H14N3P
Molecular Weight183.19 g/mol
Exact Mass183.09
IUPAC Name5,6-dimethyl-3-phosphanylbenzene-1,2,4-triamine
SMILESCc1c(C)c(N)c(P)c(N)c1N
InChIInChI=1S/C8H14N3P/c1-3-4(2)6(10)8(12)7(11)5(3)9/h9-12H2,1-2H3
InChIKeyLFNXTJBITUNORJ-UHFFFAOYSA-N
XLogP0.55
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.19
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3,4,5,6-pentamethylaniline;hydrochloride
CID 139747221
4-(iodomethyl)-2,3,5,6-tetramethylaniline
CID 134361055
2,4,6-triethyl-3-methyl-5-phosphanylaniline
CID 142461641
5-phosphanyl-6-[16-(2,3,5-triamino-4-methyl-6-phosphanylphenyl)-12,22-dioxahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaen-7-yl]benzene-1,2,3,4-tetramine
CID 163699204
2,5-diamino-3,6-dimethylbenzene-1,4-dithiol;dihydrochloride
CID 174598456
4,5-diethyl-3,6-dimethylbenzene-1,2-diamine
CID 174838412
2,3,5-triamino-6-methylbenzene-1,4-diol
CID 163832497
2,3,4,6-tetramethylaniline;hydrochloride
CID 173462147
2,3,5-trimethylbenzene-1,4-diamine;hydrochloride
CID 87071564
1,3,4-trimethylnaphthalen-2-amine
CID 68501802
5-[3,5-bis(2,3,4,5-tetraamino-6-methylphenyl)phenyl]-6-methylbenzene-1,2,3,4-tetramine
CID 163411444
6-bromo-4-methoxy-2,3-dimethylaniline
CID 151145179

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-phosphanylbenzene-1,2,4-triamine?
The IUPAC name of 5,6-dimethyl-3-phosphanylbenzene-1,2,4-triamine (CID 163738273) is 5,6-dimethyl-3-phosphanylbenzene-1,2,4-triamine.
What is the SMILES notation for 5,6-dimethyl-3-phosphanylbenzene-1,2,4-triamine?
The canonical SMILES for 5,6-dimethyl-3-phosphanylbenzene-1,2,4-triamine is Cc1c(C)c(N)c(P)c(N)c1N.
What is the InChIKey of 5,6-dimethyl-3-phosphanylbenzene-1,2,4-triamine?
The InChIKey is LFNXTJBITUNORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N3P/c1-3-4(2)6(10)8(12)7(11)5(3)9/h9-12H2,1-2H3.
What are the key properties of 5,6-dimethyl-3-phosphanylbenzene-1,2,4-triamine?
5,6-dimethyl-3-phosphanylbenzene-1,2,4-triamine has a molecular weight of 183.19 g/mol, XLogP of 0.55, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-phosphanylbenzene-1,2,4-triamine is sourced from PubChem (CID 163738273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).