2-methyl-N-[2-(2-methylpropylphosphanyl)phenyl]aniline

C17H22NP — CID 134572435

IUPAC2-methyl-N-[2-(2-methylpropylphosphanyl)phenyl]aniline
SMILESCc1ccccc1Nc1ccccc1PCC(C)C
InChIInChI=1S/C17H22NP/c1-13(2)12-19-17-11-7-6-10-16(17)18-15-9-5-4-8-14(15)3/h4-11,13,18-19H,12H2,1-3H3
InChIKeyXFYSLXZNNHNRDD-UHFFFAOYSA-N
MW271.34 g/mol
LogP4.70
Rot. Bonds5

About 2-methyl-N-[2-(2-methylpropylphosphanyl)phenyl]aniline

2-methyl-N-[2-(2-methylpropylphosphanyl)phenyl]aniline (PubChem CID 134572435) has the molecular formula C17H22NP and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-methyl-N-[2-(2-methylpropylphosphanyl)phenyl]aniline.

Molecular Properties

Compound Name2-methyl-N-[2-(2-methylpropylphosphanyl)phenyl]aniline
PubChem CID134572435
Molecular FormulaC17H22NP
Molecular Weight271.34 g/mol
Exact Mass271.15
IUPAC Name2-methyl-N-[2-(2-methylpropylphosphanyl)phenyl]aniline
SMILESCc1ccccc1Nc1ccccc1PCC(C)C
InChIInChI=1S/C17H22NP/c1-13(2)12-19-17-11-7-6-10-16(17)18-15-9-5-4-8-14(15)3/h4-11,13,18-19H,12H2,1-3H3
InChIKeyXFYSLXZNNHNRDD-UHFFFAOYSA-N
XLogP4.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,4,5-trimethyl-N-(2-methylphenyl)aniline
CID 142357624
2-methyl-N-(4-methylpentan-2-yl)aniline
CID 43196655
2-methyl-N-(5-methylhexan-2-yl)aniline
CID 43095435
CID 175798397
CID 175798397
2-ethyl-1-N-(2-methylphenyl)-4-N-(1-phenylethyl)benzene-1,4-diamine
CID 175547024
N-(2-methylphenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 61247555
2-methyl-N-(3-methyl-1-phenylbutyl)aniline
CID 43108740
2,6-dimethyl-N-[2-(2-methylpropyl)phenyl]aniline
CID 59456562
N,2-dimethylaniline
CID 163768915
2-methyl-N-[4-(2-methylphenyl)phenyl]aniline
CID 144650096
N-(2-methylphenyl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 54974110
6-N-(3-methylbutyl)-4-N-(2-methylphenyl)pyrimidine-4,5,6-triamine
CID 19147842

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(2-methylpropylphosphanyl)phenyl]aniline?
The IUPAC name of 2-methyl-N-[2-(2-methylpropylphosphanyl)phenyl]aniline (CID 134572435) is 2-methyl-N-[2-(2-methylpropylphosphanyl)phenyl]aniline.
What is the SMILES notation for 2-methyl-N-[2-(2-methylpropylphosphanyl)phenyl]aniline?
The canonical SMILES for 2-methyl-N-[2-(2-methylpropylphosphanyl)phenyl]aniline is Cc1ccccc1Nc1ccccc1PCC(C)C.
What is the InChIKey of 2-methyl-N-[2-(2-methylpropylphosphanyl)phenyl]aniline?
The InChIKey is XFYSLXZNNHNRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22NP/c1-13(2)12-19-17-11-7-6-10-16(17)18-15-9-5-4-8-14(15)3/h4-11,13,18-19H,12H2,1-3H3.
What are the key properties of 2-methyl-N-[2-(2-methylpropylphosphanyl)phenyl]aniline?
2-methyl-N-[2-(2-methylpropylphosphanyl)phenyl]aniline has a molecular weight of 271.34 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(2-methylpropylphosphanyl)phenyl]aniline is sourced from PubChem (CID 134572435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).