N-methyl-4-(2-methylprop-1-enyl)aniline

C11H15N — CID 54423846

IUPACN-methyl-4-(2-methylprop-1-enyl)aniline
SMILESCNc1ccc(C=C(C)C)cc1
InChIInChI=1S/C11H15N/c1-9(2)8-10-4-6-11(12-3)7-5-10/h4-8,12H,1-3H3
InChIKeyWCRGPXAKMZSKKQ-UHFFFAOYSA-N
MW161.25 g/mol
LogP3.15
Rot. Bonds2

About N-methyl-4-(2-methylprop-1-enyl)aniline

N-methyl-4-(2-methylprop-1-enyl)aniline (PubChem CID 54423846) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is N-methyl-4-(2-methylprop-1-enyl)aniline.

Molecular Properties

Compound NameN-methyl-4-(2-methylprop-1-enyl)aniline
PubChem CID54423846
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC NameN-methyl-4-(2-methylprop-1-enyl)aniline
SMILESCNc1ccc(C=C(C)C)cc1
InChIInChI=1S/C11H15N/c1-9(2)8-10-4-6-11(12-3)7-5-10/h4-8,12H,1-3H3
InChIKeyWCRGPXAKMZSKKQ-UHFFFAOYSA-N
XLogP3.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[3-deuterio-2-(deuteriomethyl)prop-1-enyl]-N-methylaniline;ethane
CID 162180413
ethane;4-(methylamino)benzaldehyde
CID 90757327
4-[(Z)-2-(methoxymethyl)but-1-enyl]-N-methylaniline
CID 142894520
ethane;[(E)-3-[4-(methylamino)phenyl]prop-2-enyl] acetate
CID 143755056
4-(1-chloro-2-phenylethenyl)-N-methylaniline
CID 54059464
[3-[4-[[2-[[4-[3-acetyloxy-2-(acetyloxymethyl)prop-1-enyl]phenyl]carbamoyloxymethyl]-3-[4-(methylamino)phenyl]prop-2-enoxy]carbonylamino]phenyl]-2-(acetyloxymethyl)prop-2-enyl] acetate
CID 58654251
N-methyl-4-[(E)-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-en-2-yl]aniline
CID 20672226
4-[4-(methylamino)phenyl]but-3-en-1-ol
CID 170476280
methanol;4-(methylamino)benzaldehyde;prop-2-enal
CID 153387610
N-methyl-4-[2-methyl-1-[4-(methylamino)phenyl]prop-1-enyl]aniline
CID 21400968
3-[4-(methylamino)phenyl]-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-ene-1-thiol
CID 170802811
[4-[4-(2-methylprop-1-enyl)phenyl]phenyl]methanol
CID 19705950

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2-methylprop-1-enyl)aniline?
The IUPAC name of N-methyl-4-(2-methylprop-1-enyl)aniline (CID 54423846) is N-methyl-4-(2-methylprop-1-enyl)aniline.
What is the SMILES notation for N-methyl-4-(2-methylprop-1-enyl)aniline?
The canonical SMILES for N-methyl-4-(2-methylprop-1-enyl)aniline is CNc1ccc(C=C(C)C)cc1.
What is the InChIKey of N-methyl-4-(2-methylprop-1-enyl)aniline?
The InChIKey is WCRGPXAKMZSKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N/c1-9(2)8-10-4-6-11(12-3)7-5-10/h4-8,12H,1-3H3.
What are the key properties of N-methyl-4-(2-methylprop-1-enyl)aniline?
N-methyl-4-(2-methylprop-1-enyl)aniline has a molecular weight of 161.25 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(2-methylprop-1-enyl)aniline is sourced from PubChem (CID 54423846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).