N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine

C16H19ClN2O2 — CID 63625015

IUPACN-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine
SMILESCOc1ccc(CNCc2ccc(C)nc2)c(Cl)c1OC
InChIInChI=1S/C16H19ClN2O2/c1-11-4-5-12(9-19-11)8-18-10-13-6-7-14(20-2)16(21-3)15(13)17/h4-7,9,18H,8,10H2,1-3H3
InChIKeyIAJVRINXVNPKKS-UHFFFAOYSA-N
MW306.79 g/mol
LogP3.35
Rot. Bonds6

About N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine

N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine (PubChem CID 63625015) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine.

Molecular Properties

Compound NameN-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine
PubChem CID63625015
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC NameN-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine
SMILESCOc1ccc(CNCc2ccc(C)nc2)c(Cl)c1OC
InChIInChI=1S/C16H19ClN2O2/c1-11-4-5-12(9-19-11)8-18-10-13-6-7-14(20-2)16(21-3)15(13)17/h4-7,9,18H,8,10H2,1-3H3
InChIKeyIAJVRINXVNPKKS-UHFFFAOYSA-N
XLogP3.35
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-methoxy-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 104756549
1-(2-chloro-3,4-dimethoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 63626229
1-(2-chloro-3,4-dimethoxyphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 63626066
1-(2-chloro-3,4-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine
CID 63625676
N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-pyridin-3-ylethanamine
CID 63625517
4-[[(2-chloro-3,4-dimethoxyphenyl)methylamino]methyl]-N,N-dimethylbenzenesulfonamide
CID 119125249
1-(2-chloro-3,4-dimethoxyphenyl)-N-methylmethanamine
CID 63626727
1-(4-chlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine
CID 52526472
N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2,2-dimethylpropan-1-amine
CID 63626938
N-[(2-fluoro-4-methoxyphenyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine
CID 104756513
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine
CID 62996931
1-pyridin-3-yl-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine
CID 1075948

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine?
The IUPAC name of N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine (CID 63625015) is N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine.
What is the SMILES notation for N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine?
The canonical SMILES for N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine is COc1ccc(CNCc2ccc(C)nc2)c(Cl)c1OC.
What is the InChIKey of N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine?
The InChIKey is IAJVRINXVNPKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c1-11-4-5-12(9-19-11)8-18-10-13-6-7-14(20-2)16(21-3)15(13)17/h4-7,9,18H,8,10H2,1-3H3.
What are the key properties of N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine?
N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine has a molecular weight of 306.79 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine is sourced from PubChem (CID 63625015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).