1-(3,4-dichlorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine

C14H14Cl2N2 — CID 66447248

IUPAC1-(3,4-dichlorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine
SMILESCc1cccnc1CC(N)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H14Cl2N2/c1-9-3-2-6-18-14(9)8-13(17)10-4-5-11(15)12(16)7-10/h2-7,13H,8,17H2,1H3
InChIKeyMKDIXCWVWHUZJD-UHFFFAOYSA-N
MW281.19 g/mol
LogP3.94
Rot. Bonds3

About 1-(3,4-dichlorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine

1-(3,4-dichlorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine (PubChem CID 66447248) has the molecular formula C14H14Cl2N2 and a molecular weight of 281.19 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine
PubChem CID66447248
Molecular FormulaC14H14Cl2N2
Molecular Weight281.19 g/mol
Exact Mass280.05
IUPAC Name1-(3,4-dichlorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine
SMILESCc1cccnc1CC(N)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H14Cl2N2/c1-9-3-2-6-18-14(9)8-13(17)10-4-5-11(15)12(16)7-10/h2-7,13H,8,17H2,1H3
InChIKeyMKDIXCWVWHUZJD-UHFFFAOYSA-N
XLogP3.94
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.19
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dichlorophenyl)-N-methyl-2-(3-methyl-2-pyridinyl)ethanamine
CID 66446677
1-(3,4-dichlorophenyl)-N-ethyl-2-(3-methyl-2-pyridinyl)ethanamine
CID 66446099
1-(3,5-difluorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine
CID 66448420
2-[2-chloro-2-(3-chloro-4-methylphenyl)ethyl]-3-methylpyridine
CID 66458987
1-(2,3-dichlorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine
CID 66448228
1-(furan-3-yl)-2-(3-methyl-2-pyridinyl)ethanamine
CID 66448619
1-(2-bromo-5-chlorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine
CID 114027773
2-[2-bromo-2-(3-chloro-4-iodophenyl)ethyl]-3-methylpyridine
CID 103222629
1-(3-bromo-5-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine
CID 66446478
4-[2-amino-2-(3,4-dichlorophenyl)ethyl]pyridin-2-amine
CID 81492517
1-(4-bromo-2-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine
CID 66446075
1-(3,4-dichlorophenyl)-2-(1-methylindazol-3-yl)ethanamine
CID 81494685

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine?
The IUPAC name of 1-(3,4-dichlorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine (CID 66447248) is 1-(3,4-dichlorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine is Cc1cccnc1CC(N)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine?
The InChIKey is MKDIXCWVWHUZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2/c1-9-3-2-6-18-14(9)8-13(17)10-4-5-11(15)12(16)7-10/h2-7,13H,8,17H2,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine?
1-(3,4-dichlorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine has a molecular weight of 281.19 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine is sourced from PubChem (CID 66447248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).