3-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]-N,N-dimethylpyridin-4-amine

C16H20ClN3O — CID 75522346

IUPAC3-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]-N,N-dimethylpyridin-4-amine
SMILESCOc1ccc(Cl)cc1CNCc1cnccc1N(C)C
InChIInChI=1S/C16H20ClN3O/c1-20(2)15-6-7-18-10-13(15)11-19-9-12-8-14(17)4-5-16(12)21-3/h4-8,10,19H,9,11H2,1-3H3
InChIKeyBJNSNZMJNBIJNG-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.10
Rot. Bonds6

About 3-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]-N,N-dimethylpyridin-4-amine

3-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]-N,N-dimethylpyridin-4-amine (PubChem CID 75522346) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 3-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]-N,N-dimethylpyridin-4-amine.

Molecular Properties

Compound Name3-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]-N,N-dimethylpyridin-4-amine
PubChem CID75522346
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name3-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]-N,N-dimethylpyridin-4-amine
SMILESCOc1ccc(Cl)cc1CNCc1cnccc1N(C)C
InChIInChI=1S/C16H20ClN3O/c1-20(2)15-6-7-18-10-13(15)11-19-9-12-8-14(17)4-5-16(12)21-3/h4-8,10,19H,9,11H2,1-3H3
InChIKeyBJNSNZMJNBIJNG-UHFFFAOYSA-N
XLogP3.10
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-chloro-2-methoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride
CID 17331835
N-[(5-chloro-2-methoxyphenyl)methyl]-1-(4-chlorophenyl)methanamine
CID 43410760
N-[(5-chloro-2-methoxyphenyl)methyl]pyridin-3-amine
CID 54905217
1-(5-chloro-2-methoxyphenyl)-N-(methoxymethyl)methanamine
CID 115258490
N-[(5-chloro-2-methoxyphenyl)methyl]-1-phenylmethanamine
CID 4723308
1-(5-chloro-2-methoxyphenyl)-N-(1H-imidazol-2-ylmethyl)methanamine
CID 63001121
N-[(5-chloro-2-methoxyphenyl)methyl]-1-(2-chlorophenyl)methanamine;hydrochloride
CID 17331816
2-[(5-chloro-2-methoxyphenyl)methylamino]acetaldehyde
CID 115222884
4-chloro-2-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxybenzene
CID 626547
N-[(5-chloro-2-methoxyphenyl)methyl]-2-methylsulfinylethanamine
CID 115632586
2-[(5-chloro-2-methoxyphenyl)methylamino]-N,N-diethylacetamide
CID 112687072
N-[(5-chloro-2-methoxyphenyl)methyl]-1-(6-methyl-2-pyridinyl)methanamine
CID 60962067

Frequently Asked Questions

What is the IUPAC name of 3-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]-N,N-dimethylpyridin-4-amine?
The IUPAC name of 3-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]-N,N-dimethylpyridin-4-amine (CID 75522346) is 3-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]-N,N-dimethylpyridin-4-amine.
What is the SMILES notation for 3-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]-N,N-dimethylpyridin-4-amine?
The canonical SMILES for 3-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]-N,N-dimethylpyridin-4-amine is COc1ccc(Cl)cc1CNCc1cnccc1N(C)C.
What is the InChIKey of 3-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]-N,N-dimethylpyridin-4-amine?
The InChIKey is BJNSNZMJNBIJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-20(2)15-6-7-18-10-13(15)11-19-9-12-8-14(17)4-5-16(12)21-3/h4-8,10,19H,9,11H2,1-3H3.
What are the key properties of 3-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]-N,N-dimethylpyridin-4-amine?
3-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]-N,N-dimethylpyridin-4-amine has a molecular weight of 305.81 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]-N,N-dimethylpyridin-4-amine is sourced from PubChem (CID 75522346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).