5-[(dimethylamino)methyl]-2-methoxy-N-propan-2-ylaniline

C13H22N2O — CID 43686566

IUPAC5-[(dimethylamino)methyl]-2-methoxy-N-propan-2-ylaniline
SMILESCOc1ccc(CN(C)C)cc1NC(C)C
InChIInChI=1S/C13H22N2O/c1-10(2)14-12-8-11(9-15(3)4)6-7-13(12)16-5/h6-8,10,14H,9H2,1-5H3
InChIKeyTXQRBHWZHVEBKK-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.58
Rot. Bonds5

About 5-[(dimethylamino)methyl]-2-methoxy-N-propan-2-ylaniline

5-[(dimethylamino)methyl]-2-methoxy-N-propan-2-ylaniline (PubChem CID 43686566) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 5-[(dimethylamino)methyl]-2-methoxy-N-propan-2-ylaniline.

Molecular Properties

Compound Name5-[(dimethylamino)methyl]-2-methoxy-N-propan-2-ylaniline
PubChem CID43686566
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name5-[(dimethylamino)methyl]-2-methoxy-N-propan-2-ylaniline
SMILESCOc1ccc(CN(C)C)cc1NC(C)C
InChIInChI=1S/C13H22N2O/c1-10(2)14-12-8-11(9-15(3)4)6-7-13(12)16-5/h6-8,10,14H,9H2,1-5H3
InChIKeyTXQRBHWZHVEBKK-UHFFFAOYSA-N
XLogP2.58
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(dimethylamino)methyl]-N-(2,2-dimethylpropyl)-2-methoxyaniline
CID 61324530
N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]-2-propan-2-yloxyacetamide
CID 115593507
(2S,3S)-2-amino-N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]-3-methylpentanamide
CID 61178895
5-[(dimethylamino)methyl]-2-methoxy-N-(3-methylcyclohexyl)aniline
CID 43686520
1-N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]cyclohexane-1,3-diamine
CID 79458843
5-[(dimethylamino)methyl]-2-methoxy-N-[(3-methylphenyl)methyl]aniline
CID 43686510
5-[(dimethylamino)methyl]-2-methoxy-N-[(2-methylphenyl)methyl]aniline
CID 43686508
3-amino-N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]propanamide
CID 43703754
5-[(dimethylamino)methyl]-N-[(5-ethylfuran-2-yl)methyl]-2-methoxyaniline
CID 62346152
5-[(dimethylamino)methyl]-2-methoxy-N-(3-methylcyclopentyl)aniline
CID 64501060
N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]-1H-pyrazole-4-sulfonamide
CID 61276279
5-[(dimethylamino)methyl]-2-methoxy-N-(pyridin-3-ylmethyl)aniline
CID 43686524

Frequently Asked Questions

What is the IUPAC name of 5-[(dimethylamino)methyl]-2-methoxy-N-propan-2-ylaniline?
The IUPAC name of 5-[(dimethylamino)methyl]-2-methoxy-N-propan-2-ylaniline (CID 43686566) is 5-[(dimethylamino)methyl]-2-methoxy-N-propan-2-ylaniline.
What is the SMILES notation for 5-[(dimethylamino)methyl]-2-methoxy-N-propan-2-ylaniline?
The canonical SMILES for 5-[(dimethylamino)methyl]-2-methoxy-N-propan-2-ylaniline is COc1ccc(CN(C)C)cc1NC(C)C.
What is the InChIKey of 5-[(dimethylamino)methyl]-2-methoxy-N-propan-2-ylaniline?
The InChIKey is TXQRBHWZHVEBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-10(2)14-12-8-11(9-15(3)4)6-7-13(12)16-5/h6-8,10,14H,9H2,1-5H3.
What are the key properties of 5-[(dimethylamino)methyl]-2-methoxy-N-propan-2-ylaniline?
5-[(dimethylamino)methyl]-2-methoxy-N-propan-2-ylaniline has a molecular weight of 222.33 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dimethylamino)methyl]-2-methoxy-N-propan-2-ylaniline is sourced from PubChem (CID 43686566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).