6-[(cyclopropylamino)methyl]-N-(2,4-dimethylphenyl)-N-methylpyridin-2-amine

C18H23N3 — CID 62293980

IUPAC6-[(cyclopropylamino)methyl]-N-(2,4-dimethylphenyl)-N-methylpyridin-2-amine
SMILESCc1ccc(N(C)c2cccc(CNC3CC3)n2)c(C)c1
InChIInChI=1S/C18H23N3/c1-13-7-10-17(14(2)11-13)21(3)18-6-4-5-16(20-18)12-19-15-8-9-15/h4-7,10-11,15,19H,8-9,12H2,1-3H3
InChIKeyBUBIWFVXYDDGKY-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.72
Rot. Bonds5

About 6-[(cyclopropylamino)methyl]-N-(2,4-dimethylphenyl)-N-methylpyridin-2-amine

6-[(cyclopropylamino)methyl]-N-(2,4-dimethylphenyl)-N-methylpyridin-2-amine (PubChem CID 62293980) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 6-[(cyclopropylamino)methyl]-N-(2,4-dimethylphenyl)-N-methylpyridin-2-amine.

Molecular Properties

Compound Name6-[(cyclopropylamino)methyl]-N-(2,4-dimethylphenyl)-N-methylpyridin-2-amine
PubChem CID62293980
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name6-[(cyclopropylamino)methyl]-N-(2,4-dimethylphenyl)-N-methylpyridin-2-amine
SMILESCc1ccc(N(C)c2cccc(CNC3CC3)n2)c(C)c1
InChIInChI=1S/C18H23N3/c1-13-7-10-17(14(2)11-13)21(3)18-6-4-5-16(20-18)12-19-15-8-9-15/h4-7,10-11,15,19H,8-9,12H2,1-3H3
InChIKeyBUBIWFVXYDDGKY-UHFFFAOYSA-N
XLogP3.72
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(cyclopropylamino)methyl]-N-(2,4-dimethylphenyl)-N-methylpyrazin-2-amine
CID 107379665
6-[(cyclopropylamino)methyl]-N-(2-fluorophenyl)-N-methylpyridin-2-amine
CID 62294639
N-[[6-(2,4-dimethylphenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62298316
4-[(cyclopropylamino)methyl]-N-(2,4-dimethylphenyl)-N-methylpyridin-3-amine
CID 105073452
6-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)-N-methylpyridin-2-amine
CID 62281585
3-[(cyclopropylamino)methyl]-N-(2,4-dimethylphenyl)-N-methylpyridin-4-amine
CID 81249862
6-chloro-N-(2,4-dimethylphenyl)-N-methylpyridin-2-amine
CID 63588619
N-[[6-[(3-methylphenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106908030
6-[(cyclopropylamino)methyl]-N-methyl-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 62284157
6-[(cyclopropylamino)methyl]-N-[(2-fluorophenyl)methyl]-N-methylpyridin-2-amine
CID 62295485
N-[[6-(2-chloro-5-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62323460
N-[(3-bromophenyl)methyl]-6-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine
CID 62293133

Frequently Asked Questions

What is the IUPAC name of 6-[(cyclopropylamino)methyl]-N-(2,4-dimethylphenyl)-N-methylpyridin-2-amine?
The IUPAC name of 6-[(cyclopropylamino)methyl]-N-(2,4-dimethylphenyl)-N-methylpyridin-2-amine (CID 62293980) is 6-[(cyclopropylamino)methyl]-N-(2,4-dimethylphenyl)-N-methylpyridin-2-amine.
What is the SMILES notation for 6-[(cyclopropylamino)methyl]-N-(2,4-dimethylphenyl)-N-methylpyridin-2-amine?
The canonical SMILES for 6-[(cyclopropylamino)methyl]-N-(2,4-dimethylphenyl)-N-methylpyridin-2-amine is Cc1ccc(N(C)c2cccc(CNC3CC3)n2)c(C)c1.
What is the InChIKey of 6-[(cyclopropylamino)methyl]-N-(2,4-dimethylphenyl)-N-methylpyridin-2-amine?
The InChIKey is BUBIWFVXYDDGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-13-7-10-17(14(2)11-13)21(3)18-6-4-5-16(20-18)12-19-15-8-9-15/h4-7,10-11,15,19H,8-9,12H2,1-3H3.
What are the key properties of 6-[(cyclopropylamino)methyl]-N-(2,4-dimethylphenyl)-N-methylpyridin-2-amine?
6-[(cyclopropylamino)methyl]-N-(2,4-dimethylphenyl)-N-methylpyridin-2-amine has a molecular weight of 281.40 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(cyclopropylamino)methyl]-N-(2,4-dimethylphenyl)-N-methylpyridin-2-amine is sourced from PubChem (CID 62293980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).