N,N-dimethyl-3-[(2-methylpropan-2-yl)oxymethyl]aniline

C13H21NO — CID 130328244

IUPACN,N-dimethyl-3-[(2-methylpropan-2-yl)oxymethyl]aniline
SMILESCN(C)c1cccc(COC(C)(C)C)c1
InChIInChI=1S/C13H21NO/c1-13(2,3)15-10-11-7-6-8-12(9-11)14(4)5/h6-9H,10H2,1-5H3
InChIKeyFGKLLDARAXQUCV-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.07
Rot. Bonds3

About N,N-dimethyl-3-[(2-methylpropan-2-yl)oxymethyl]aniline

N,N-dimethyl-3-[(2-methylpropan-2-yl)oxymethyl]aniline (PubChem CID 130328244) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N,N-dimethyl-3-[(2-methylpropan-2-yl)oxymethyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-3-[(2-methylpropan-2-yl)oxymethyl]aniline
PubChem CID130328244
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN,N-dimethyl-3-[(2-methylpropan-2-yl)oxymethyl]aniline
SMILESCN(C)c1cccc(COC(C)(C)C)c1
InChIInChI=1S/C13H21NO/c1-13(2,3)15-10-11-7-6-8-12(9-11)14(4)5/h6-9H,10H2,1-5H3
InChIKeyFGKLLDARAXQUCV-UHFFFAOYSA-N
XLogP3.07
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(dimethylamino)phenyl]methanethiol
CID 83792343
ethane;methanethiol;1-methoxy-3-[(2-methylpropan-2-yl)oxymethyl]benzene
CID 142276005
3-[2-(ethylamino)ethoxymethyl]-N,N-dimethylaniline
CID 82353951
4-[[3-(dimethylamino)phenyl]methoxy]benzonitrile
CID 82245048
2-[3-(dimethylamino)phenyl]acetonitrile
CID 53403559
N,N-dimethyl-3-[(N-methylanilino)methyl]aniline
CID 99811191
3-(2-ethoxyethyl)-N,N-dimethylaniline
CID 142585590
ethane;1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-diamine
CID 90858464
3-[(2-methylpropan-2-yl)oxymethyl]benzohydrazide
CID 63574676
[3-(dimethylamino)phenyl]methyl 2-(trifluoromethyl)pyridine-3-carboxylate
CID 75496743
1-cyclopropyl-N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]methanamine
CID 119110641
N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]-1-pyridin-4-ylmethanamine
CID 119107430

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[(2-methylpropan-2-yl)oxymethyl]aniline?
The IUPAC name of N,N-dimethyl-3-[(2-methylpropan-2-yl)oxymethyl]aniline (CID 130328244) is N,N-dimethyl-3-[(2-methylpropan-2-yl)oxymethyl]aniline.
What is the SMILES notation for N,N-dimethyl-3-[(2-methylpropan-2-yl)oxymethyl]aniline?
The canonical SMILES for N,N-dimethyl-3-[(2-methylpropan-2-yl)oxymethyl]aniline is CN(C)c1cccc(COC(C)(C)C)c1.
What is the InChIKey of N,N-dimethyl-3-[(2-methylpropan-2-yl)oxymethyl]aniline?
The InChIKey is FGKLLDARAXQUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-13(2,3)15-10-11-7-6-8-12(9-11)14(4)5/h6-9H,10H2,1-5H3.
What are the key properties of N,N-dimethyl-3-[(2-methylpropan-2-yl)oxymethyl]aniline?
N,N-dimethyl-3-[(2-methylpropan-2-yl)oxymethyl]aniline has a molecular weight of 207.32 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(2-methylpropan-2-yl)oxymethyl]aniline is sourced from PubChem (CID 130328244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).