2-[(cyclopropylamino)methyl]-N-(3,5-dimethylphenyl)-N-methylpyridin-4-amine

C18H23N3 — CID 62293645

IUPAC2-[(cyclopropylamino)methyl]-N-(3,5-dimethylphenyl)-N-methylpyridin-4-amine
SMILESCc1cc(C)cc(N(C)c2ccnc(CNC3CC3)c2)c1
InChIInChI=1S/C18H23N3/c1-13-8-14(2)10-18(9-13)21(3)17-6-7-19-16(11-17)12-20-15-4-5-15/h6-11,15,20H,4-5,12H2,1-3H3
InChIKeyWJNVIYYOSXIZJP-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.72
Rot. Bonds5

About 2-[(cyclopropylamino)methyl]-N-(3,5-dimethylphenyl)-N-methylpyridin-4-amine

2-[(cyclopropylamino)methyl]-N-(3,5-dimethylphenyl)-N-methylpyridin-4-amine (PubChem CID 62293645) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-[(cyclopropylamino)methyl]-N-(3,5-dimethylphenyl)-N-methylpyridin-4-amine.

Molecular Properties

Compound Name2-[(cyclopropylamino)methyl]-N-(3,5-dimethylphenyl)-N-methylpyridin-4-amine
PubChem CID62293645
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name2-[(cyclopropylamino)methyl]-N-(3,5-dimethylphenyl)-N-methylpyridin-4-amine
SMILESCc1cc(C)cc(N(C)c2ccnc(CNC3CC3)c2)c1
InChIInChI=1S/C18H23N3/c1-13-8-14(2)10-18(9-13)21(3)17-6-7-19-16(11-17)12-20-15-4-5-15/h6-11,15,20H,4-5,12H2,1-3H3
InChIKeyWJNVIYYOSXIZJP-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

N-(3,5-dimethylphenyl)-2-(ethylaminomethyl)-N-methylpyridin-4-amine
CID 62293287
2-[(cyclopropylamino)methyl]-N-(4-ethylcyclohexyl)-N-methylpyridin-4-amine
CID 62288523
2-[(cyclopropylamino)methyl]-N-ethyl-N-(2-ethylbutyl)pyridin-4-amine
CID 62293189
N-[(5-bromothiophen-3-yl)methyl]-2-[(cyclopropylamino)methyl]-N-methylpyridin-4-amine
CID 62287412
N-[[4-(4-bromo-3,5-dimethylphenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 107726012
N-[[5-(3,5-dimethylphenoxy)pyrazin-2-yl]methyl]cyclopropanamine
CID 107381795
N-[[4-(3,4-dimethylpyrrolidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine
CID 79184228
N-[[4-(2-chloro-5-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62322053
N-[[4-(2-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62295755
N-[[4-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]methyl]cyclopropanamine
CID 62288585
N-[[4-(4-ethoxyphenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62297962
N-[[4-(3,3,5-trimethylcyclohexyl)oxy-2-pyridinyl]methyl]cyclopropanamine
CID 62290018

Frequently Asked Questions

What is the IUPAC name of 2-[(cyclopropylamino)methyl]-N-(3,5-dimethylphenyl)-N-methylpyridin-4-amine?
The IUPAC name of 2-[(cyclopropylamino)methyl]-N-(3,5-dimethylphenyl)-N-methylpyridin-4-amine (CID 62293645) is 2-[(cyclopropylamino)methyl]-N-(3,5-dimethylphenyl)-N-methylpyridin-4-amine.
What is the SMILES notation for 2-[(cyclopropylamino)methyl]-N-(3,5-dimethylphenyl)-N-methylpyridin-4-amine?
The canonical SMILES for 2-[(cyclopropylamino)methyl]-N-(3,5-dimethylphenyl)-N-methylpyridin-4-amine is Cc1cc(C)cc(N(C)c2ccnc(CNC3CC3)c2)c1.
What is the InChIKey of 2-[(cyclopropylamino)methyl]-N-(3,5-dimethylphenyl)-N-methylpyridin-4-amine?
The InChIKey is WJNVIYYOSXIZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-13-8-14(2)10-18(9-13)21(3)17-6-7-19-16(11-17)12-20-15-4-5-15/h6-11,15,20H,4-5,12H2,1-3H3.
What are the key properties of 2-[(cyclopropylamino)methyl]-N-(3,5-dimethylphenyl)-N-methylpyridin-4-amine?
2-[(cyclopropylamino)methyl]-N-(3,5-dimethylphenyl)-N-methylpyridin-4-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 2-[(cyclopropylamino)methyl]-N-(3,5-dimethylphenyl)-N-methylpyridin-4-amine is sourced from PubChem (CID 62293645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).