5-methyl-N-(4-phosphanylbutan-2-yl)-2-prop-1-en-2-ylaniline

C14H22NP — CID 143871395

IUPAC5-methyl-N-(4-phosphanylbutan-2-yl)-2-prop-1-en-2-ylaniline
SMILESC=C(C)c1ccc(C)cc1NC(C)CCP
InChIInChI=1S/C14H22NP/c1-10(2)13-6-5-11(3)9-14(13)15-12(4)7-8-16/h5-6,9,12,15H,1,7-8,16H2,2-4H3
InChIKeyWUYKUQDEAGLFDP-UHFFFAOYSA-N
MW235.31 g/mol
LogP4.09
Rot. Bonds5

About 5-methyl-N-(4-phosphanylbutan-2-yl)-2-prop-1-en-2-ylaniline

5-methyl-N-(4-phosphanylbutan-2-yl)-2-prop-1-en-2-ylaniline (PubChem CID 143871395) has the molecular formula C14H22NP and a molecular weight of 235.31 g/mol. Its IUPAC name is 5-methyl-N-(4-phosphanylbutan-2-yl)-2-prop-1-en-2-ylaniline.

Molecular Properties

Compound Name5-methyl-N-(4-phosphanylbutan-2-yl)-2-prop-1-en-2-ylaniline
PubChem CID143871395
Molecular FormulaC14H22NP
Molecular Weight235.31 g/mol
Exact Mass235.15
IUPAC Name5-methyl-N-(4-phosphanylbutan-2-yl)-2-prop-1-en-2-ylaniline
SMILESC=C(C)c1ccc(C)cc1NC(C)CCP
InChIInChI=1S/C14H22NP/c1-10(2)13-6-5-11(3)9-14(13)15-12(4)7-8-16/h5-6,9,12,15H,1,7-8,16H2,2-4H3
InChIKeyWUYKUQDEAGLFDP-UHFFFAOYSA-N
XLogP4.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 54.09
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

4-(2,5-dimethylanilino)pentan-1-ol
CID 115976106
4-(2-fluoro-5-methylanilino)pentan-1-ol
CID 115976054
N-(5-methyl-2-prop-1-en-2-ylphenyl)benzamide
CID 154709927
5-methyl-2-(5-methylhexan-2-ylamino)benzenecarbothioamide
CID 107929010
methyl 5-methyl-2-(5-methylhexan-2-ylamino)benzoate
CID 43679208
2,5-dimethyl-N-(4-phenylbutan-2-yl)aniline
CID 43094637
ethane;5-methyl-2-prop-1-en-2-ylaniline
CID 142496238
4-methyl-2-(3-methylbutan-2-ylamino)benzoic acid
CID 62710762
2-(2,4-dimethylanilino)propan-1-ol
CID 130502576
2-(5-methyl-2-prop-1-en-2-ylphenyl)ethanamine
CID 174410424
N-hexan-2-yl-2-methoxy-5-methylaniline
CID 43761107
2-(heptan-2-ylamino)-5-methylbenzenecarbothioamide
CID 114017059

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(4-phosphanylbutan-2-yl)-2-prop-1-en-2-ylaniline?
The IUPAC name of 5-methyl-N-(4-phosphanylbutan-2-yl)-2-prop-1-en-2-ylaniline (CID 143871395) is 5-methyl-N-(4-phosphanylbutan-2-yl)-2-prop-1-en-2-ylaniline.
What is the SMILES notation for 5-methyl-N-(4-phosphanylbutan-2-yl)-2-prop-1-en-2-ylaniline?
The canonical SMILES for 5-methyl-N-(4-phosphanylbutan-2-yl)-2-prop-1-en-2-ylaniline is C=C(C)c1ccc(C)cc1NC(C)CCP.
What is the InChIKey of 5-methyl-N-(4-phosphanylbutan-2-yl)-2-prop-1-en-2-ylaniline?
The InChIKey is WUYKUQDEAGLFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22NP/c1-10(2)13-6-5-11(3)9-14(13)15-12(4)7-8-16/h5-6,9,12,15H,1,7-8,16H2,2-4H3.
What are the key properties of 5-methyl-N-(4-phosphanylbutan-2-yl)-2-prop-1-en-2-ylaniline?
5-methyl-N-(4-phosphanylbutan-2-yl)-2-prop-1-en-2-ylaniline has a molecular weight of 235.31 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(4-phosphanylbutan-2-yl)-2-prop-1-en-2-ylaniline is sourced from PubChem (CID 143871395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).