4-(aminomethyl)-5-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpyridin-2-amine

C15H18ClN3O — CID 114925953

IUPAC4-(aminomethyl)-5-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpyridin-2-amine
SMILESCOc1ccccc1CN(C)c1cc(CN)c(Cl)cn1
InChIInChI=1S/C15H18ClN3O/c1-19(10-11-5-3-4-6-14(11)20-2)15-7-12(8-17)13(16)9-18-15/h3-7,9H,8,10,17H2,1-2H3
InChIKeyBHZDYXOWJRRXOG-UHFFFAOYSA-N
MW291.78 g/mol
LogP2.84
Rot. Bonds5

About 4-(aminomethyl)-5-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpyridin-2-amine

4-(aminomethyl)-5-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpyridin-2-amine (PubChem CID 114925953) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 4-(aminomethyl)-5-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name4-(aminomethyl)-5-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpyridin-2-amine
PubChem CID114925953
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name4-(aminomethyl)-5-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpyridin-2-amine
SMILESCOc1ccccc1CN(C)c1cc(CN)c(Cl)cn1
InChIInChI=1S/C15H18ClN3O/c1-19(10-11-5-3-4-6-14(11)20-2)15-7-12(8-17)13(16)9-18-15/h3-7,9H,8,10,17H2,1-2H3
InChIKeyBHZDYXOWJRRXOG-UHFFFAOYSA-N
XLogP2.84
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-5-chloro-N-[(2-chlorophenyl)methyl]-N-methylpyridin-2-amine
CID 114926248
4-N-[(2-methoxyphenyl)methyl]-4-N-methylpyrimidine-4,6-diamine
CID 78929848
5-(chloromethyl)-N-[(2-methoxyphenyl)methyl]-N-methylpyridin-2-amine
CID 61418221
4-(aminomethyl)-5-chloro-N-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine
CID 114925259
6-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpyrazin-2-amine
CID 54940770
5-chloro-N-[(2-chlorophenyl)methyl]-N-methyl-4-(methylaminomethyl)pyridin-2-amine
CID 114926249
[5-chloro-6-[(2-methoxyphenyl)methyl-methylamino]-3-pyridinyl]methanol
CID 61417850
4-(aminomethyl)-3-fluoro-N-[(2-methoxyphenyl)methyl]-N-methylaniline
CID 115366747
5-(ethylaminomethyl)-N-[(2-methoxyphenyl)methyl]-N-methylpyridin-2-amine
CID 62294445
N-[(2-methoxyphenyl)methyl]-N,5-dimethylpyrimidin-2-amine
CID 171327101
4-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-N,6-dimethylpyrimidin-2-amine
CID 107541722
[6-[(2-methoxyphenyl)methyl-methylamino]pyrazin-2-yl]methanol
CID 66466375

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-5-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpyridin-2-amine?
The IUPAC name of 4-(aminomethyl)-5-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpyridin-2-amine (CID 114925953) is 4-(aminomethyl)-5-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 4-(aminomethyl)-5-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpyridin-2-amine?
The canonical SMILES for 4-(aminomethyl)-5-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpyridin-2-amine is COc1ccccc1CN(C)c1cc(CN)c(Cl)cn1.
What is the InChIKey of 4-(aminomethyl)-5-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpyridin-2-amine?
The InChIKey is BHZDYXOWJRRXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-19(10-11-5-3-4-6-14(11)20-2)15-7-12(8-17)13(16)9-18-15/h3-7,9H,8,10,17H2,1-2H3.
What are the key properties of 4-(aminomethyl)-5-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpyridin-2-amine?
4-(aminomethyl)-5-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpyridin-2-amine has a molecular weight of 291.78 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-5-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 114925953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).