N-[(4-chlorophenyl)-(2,6-dimethyl-4-pyridinyl)methyl]ethanamine

C16H19ClN2 — CID 107503764

IUPACN-[(4-chlorophenyl)-(2,6-dimethyl-4-pyridinyl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)cc1)c1cc(C)nc(C)c1
InChIInChI=1S/C16H19ClN2/c1-4-18-16(13-5-7-15(17)8-6-13)14-9-11(2)19-12(3)10-14/h5-10,16,18H,4H2,1-3H3
InChIKeyURDUGTIHDJPXKZ-UHFFFAOYSA-N
MW274.80 g/mol
LogP4.05
Rot. Bonds4

About N-[(4-chlorophenyl)-(2,6-dimethyl-4-pyridinyl)methyl]ethanamine

N-[(4-chlorophenyl)-(2,6-dimethyl-4-pyridinyl)methyl]ethanamine (PubChem CID 107503764) has the molecular formula C16H19ClN2 and a molecular weight of 274.80 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-(2,6-dimethyl-4-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-(2,6-dimethyl-4-pyridinyl)methyl]ethanamine
PubChem CID107503764
Molecular FormulaC16H19ClN2
Molecular Weight274.80 g/mol
Exact Mass274.12
IUPAC NameN-[(4-chlorophenyl)-(2,6-dimethyl-4-pyridinyl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)cc1)c1cc(C)nc(C)c1
InChIInChI=1S/C16H19ClN2/c1-4-18-16(13-5-7-15(17)8-6-13)14-9-11(2)19-12(3)10-14/h5-10,16,18H,4H2,1-3H3
InChIKeyURDUGTIHDJPXKZ-UHFFFAOYSA-N
XLogP4.05
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.80
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,6-dimethyl-4-pyridinyl)-(4-propan-2-ylphenyl)methyl]ethanamine
CID 107503716
N-[(4-chlorophenyl)-(3,4-difluorophenyl)methyl]ethanamine
CID 43488972
N-[(3,4-dichlorophenyl)-(3,5-dichlorophenyl)methyl]ethanamine
CID 43492862
N-[(2,6-dimethyl-4-pyridinyl)-(3-fluoro-5-methylphenyl)methyl]ethanamine
CID 107503885
N-[(2-chloro-4,5-dimethylphenyl)-(4-chlorophenyl)methyl]ethanamine
CID 115484011
N-[(2,6-dimethyl-4-pyridinyl)-(furan-2-yl)methyl]ethanamine
CID 107503948
N-[(4-chlorophenyl)-pyridin-3-ylmethyl]ethanamine
CID 43488958
N-[(4-chlorophenyl)-(2,4,6-trifluorophenyl)methyl]ethanamine
CID 43490422
N-[(4-chlorophenyl)-(2-methylphenyl)methyl]ethanamine
CID 43489020
N-[(4-chlorophenyl)-(4-methylsulfonylphenyl)methyl]ethanamine
CID 43489004
N-[(4-chlorophenyl)-(2,3-dihydro-1H-inden-5-yl)methyl]ethanamine
CID 43488967
N-[(3,4-dichlorophenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 43492849

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-(2,6-dimethyl-4-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(4-chlorophenyl)-(2,6-dimethyl-4-pyridinyl)methyl]ethanamine (CID 107503764) is N-[(4-chlorophenyl)-(2,6-dimethyl-4-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-chlorophenyl)-(2,6-dimethyl-4-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(4-chlorophenyl)-(2,6-dimethyl-4-pyridinyl)methyl]ethanamine is CCNC(c1ccc(Cl)cc1)c1cc(C)nc(C)c1.
What is the InChIKey of N-[(4-chlorophenyl)-(2,6-dimethyl-4-pyridinyl)methyl]ethanamine?
The InChIKey is URDUGTIHDJPXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2/c1-4-18-16(13-5-7-15(17)8-6-13)14-9-11(2)19-12(3)10-14/h5-10,16,18H,4H2,1-3H3.
What are the key properties of N-[(4-chlorophenyl)-(2,6-dimethyl-4-pyridinyl)methyl]ethanamine?
N-[(4-chlorophenyl)-(2,6-dimethyl-4-pyridinyl)methyl]ethanamine has a molecular weight of 274.80 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-(2,6-dimethyl-4-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 107503764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).