N,N-dimethyl-4-propan-2-ylaniline;methane

C12H21N — CID 161012849

IUPACN,N-dimethyl-4-propan-2-ylaniline;methane
SMILESC.CC(C)c1ccc(N(C)C)cc1
InChIInChI=1S/C11H17N.CH4/c1-9(2)10-5-7-11(8-6-10)12(3)4;/h5-9H,1-4H3;1H4
InChIKeyTXIUNXTUNHHOFE-UHFFFAOYSA-N
MW179.31 g/mol
LogP3.51
Rot. Bonds2

About N,N-dimethyl-4-propan-2-ylaniline;methane

N,N-dimethyl-4-propan-2-ylaniline;methane (PubChem CID 161012849) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is N,N-dimethyl-4-propan-2-ylaniline;methane.

Molecular Properties

Compound NameN,N-dimethyl-4-propan-2-ylaniline;methane
PubChem CID161012849
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC NameN,N-dimethyl-4-propan-2-ylaniline;methane
SMILESC.CC(C)c1ccc(N(C)C)cc1
InChIInChI=1S/C11H17N.CH4/c1-9(2)10-5-7-11(8-6-10)12(3)4;/h5-9H,1-4H3;1H4
InChIKeyTXIUNXTUNHHOFE-UHFFFAOYSA-N
XLogP3.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-tert-butyl-N,N-dimethylaniline;N,N-dimethyl-4-propan-2-ylaniline
CID 159098824
4-(1-aminoethyl)-N,N-dimethylaniline
CID 14341956
4-[(1R)-1-aminoethyl]-N,N-dimethylaniline
CID 14341957
4-[1-(4-chlorophenyl)ethyl]-N,N-dimethylaniline
CID 58923332
1-[bis(4-propan-2-ylphenyl)methyl]-4-propan-2-ylbenzene;methane;4-propan-2-yl-N,N-bis(4-propan-2-ylphenyl)aniline
CID 161251887
4-[3-[4-(dimethylamino)phenyl]butan-2-yl]-N,N-dimethylaniline
CID 101124306
[4-(dimethylamino)phenyl]-(4-methoxyphenyl)-(4-propan-2-ylphenyl)methanol
CID 101076282
bis[4-(dimethylamino)phenyl]methylazanium chloride
CID 146471304
4-(1-aminopropan-2-yl)-N,N-dimethylaniline
CID 60965190
4-(1-amino-2-methylpropyl)-N,N-dimethylaniline;ethane
CID 142883586
N-ethyl-N-(4-propan-2-ylphenyl)methanesulfinamide;methane
CID 142924811
N,N-dimethyl-4-[4-[1-(methylamino)ethyl]phenyl]aniline
CID 54911733

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-propan-2-ylaniline;methane?
The IUPAC name of N,N-dimethyl-4-propan-2-ylaniline;methane (CID 161012849) is N,N-dimethyl-4-propan-2-ylaniline;methane.
What is the SMILES notation for N,N-dimethyl-4-propan-2-ylaniline;methane?
The canonical SMILES for N,N-dimethyl-4-propan-2-ylaniline;methane is C.CC(C)c1ccc(N(C)C)cc1.
What is the InChIKey of N,N-dimethyl-4-propan-2-ylaniline;methane?
The InChIKey is TXIUNXTUNHHOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N.CH4/c1-9(2)10-5-7-11(8-6-10)12(3)4;/h5-9H,1-4H3;1H4.
What are the key properties of N,N-dimethyl-4-propan-2-ylaniline;methane?
N,N-dimethyl-4-propan-2-ylaniline;methane has a molecular weight of 179.31 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-propan-2-ylaniline;methane is sourced from PubChem (CID 161012849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).