N-[(3-chlorophenyl)methyl]-N-methyl-3-(methylaminomethyl)pyridin-4-amine

C15H18ClN3 — CID 81246803

IUPACN-[(3-chlorophenyl)methyl]-N-methyl-3-(methylaminomethyl)pyridin-4-amine
SMILESCNCc1cnccc1N(C)Cc1cccc(Cl)c1
InChIInChI=1S/C15H18ClN3/c1-17-9-13-10-18-7-6-15(13)19(2)11-12-4-3-5-14(16)8-12/h3-8,10,17H,9,11H2,1-2H3
InChIKeyXSLKTSNCBHZJQQ-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.09
Rot. Bonds5

About N-[(3-chlorophenyl)methyl]-N-methyl-3-(methylaminomethyl)pyridin-4-amine

N-[(3-chlorophenyl)methyl]-N-methyl-3-(methylaminomethyl)pyridin-4-amine (PubChem CID 81246803) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-N-methyl-3-(methylaminomethyl)pyridin-4-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-N-methyl-3-(methylaminomethyl)pyridin-4-amine
PubChem CID81246803
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC NameN-[(3-chlorophenyl)methyl]-N-methyl-3-(methylaminomethyl)pyridin-4-amine
SMILESCNCc1cnccc1N(C)Cc1cccc(Cl)c1
InChIInChI=1S/C15H18ClN3/c1-17-9-13-10-18-7-6-15(13)19(2)11-12-4-3-5-14(16)8-12/h3-8,10,17H,9,11H2,1-2H3
InChIKeyXSLKTSNCBHZJQQ-UHFFFAOYSA-N
XLogP3.09
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-3-(methylaminomethyl)-N-[(3-methylphenyl)methyl]pyridin-4-amine
CID 81246986
N-[(3-chlorophenyl)methyl]-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine
CID 105073225
3-chloro-N-[(3-chlorophenyl)methyl]-N-methyl-2-(methylaminomethyl)aniline
CID 63551540
N-methyl-N-[(3-methylphenyl)methyl]-3-(propylaminomethyl)pyridin-4-amine
CID 81253106
N-(furan-2-ylmethyl)-N-methyl-3-(methylaminomethyl)pyridin-4-amine
CID 81249323
3-(aminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]pyridin-4-amine
CID 81246098
3-N-[(3-chlorophenyl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine
CID 43678620
1-[3-[[(3-chlorophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine
CID 62431544
N-methyl-2-(methylaminomethyl)-N-[(3-methylphenyl)methyl]aniline
CID 61411671
N-[(3-methoxyphenyl)methyl]-N-methyl-2-(methylaminomethyl)aniline
CID 61417843
1-[6-[[(3-chlorophenyl)methyl-methylamino]methyl]-2-pyridinyl]-N-methylmethanamine
CID 106906091
3-chloro-N-methyl-2-(methylaminomethyl)-N-(pyridin-4-ylmethyl)aniline
CID 43564469

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-N-methyl-3-(methylaminomethyl)pyridin-4-amine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-N-methyl-3-(methylaminomethyl)pyridin-4-amine (CID 81246803) is N-[(3-chlorophenyl)methyl]-N-methyl-3-(methylaminomethyl)pyridin-4-amine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-N-methyl-3-(methylaminomethyl)pyridin-4-amine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-N-methyl-3-(methylaminomethyl)pyridin-4-amine is CNCc1cnccc1N(C)Cc1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-N-methyl-3-(methylaminomethyl)pyridin-4-amine?
The InChIKey is XSLKTSNCBHZJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3/c1-17-9-13-10-18-7-6-15(13)19(2)11-12-4-3-5-14(16)8-12/h3-8,10,17H,9,11H2,1-2H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-N-methyl-3-(methylaminomethyl)pyridin-4-amine?
N-[(3-chlorophenyl)methyl]-N-methyl-3-(methylaminomethyl)pyridin-4-amine has a molecular weight of 275.78 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-N-methyl-3-(methylaminomethyl)pyridin-4-amine is sourced from PubChem (CID 81246803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).