N-[(2,5-dichlorophenyl)methyl]-5-methylpyridin-3-amine

C13H12Cl2N2 — CID 103845205

IUPACN-[(2,5-dichlorophenyl)methyl]-5-methylpyridin-3-amine
SMILESCc1cncc(NCc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C13H12Cl2N2/c1-9-4-12(8-16-6-9)17-7-10-5-11(14)2-3-13(10)15/h2-6,8,17H,7H2,1H3
InChIKeyDCCUWXKRUUKEQV-UHFFFAOYSA-N
MW267.16 g/mol
LogP4.31
Rot. Bonds3

About N-[(2,5-dichlorophenyl)methyl]-5-methylpyridin-3-amine

N-[(2,5-dichlorophenyl)methyl]-5-methylpyridin-3-amine (PubChem CID 103845205) has the molecular formula C13H12Cl2N2 and a molecular weight of 267.16 g/mol. Its IUPAC name is N-[(2,5-dichlorophenyl)methyl]-5-methylpyridin-3-amine.

Molecular Properties

Compound NameN-[(2,5-dichlorophenyl)methyl]-5-methylpyridin-3-amine
PubChem CID103845205
Molecular FormulaC13H12Cl2N2
Molecular Weight267.16 g/mol
Exact Mass266.04
IUPAC NameN-[(2,5-dichlorophenyl)methyl]-5-methylpyridin-3-amine
SMILESCc1cncc(NCc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C13H12Cl2N2/c1-9-4-12(8-16-6-9)17-7-10-5-11(14)2-3-13(10)15/h2-6,8,17H,7H2,1H3
InChIKeyDCCUWXKRUUKEQV-UHFFFAOYSA-N
XLogP4.31
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.16
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-fluoro-5-methylphenyl)methyl]-5-methylpyridin-3-amine
CID 103824043
5-methyl-N-[(2-methylphenyl)methyl]pyridin-3-amine
CID 115748884
4-bromo-N-[(2,5-dichlorophenyl)methyl]aniline
CID 65315845
N-[(2,3-difluorophenyl)methyl]-5-methylpyridin-3-amine
CID 113278289
N-[(4-chloro-2-methylphenyl)methyl]-5-fluoropyridin-3-amine
CID 114217558
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-5-methylpyridin-3-amine
CID 103887758
2-(2,5-dichlorophenyl)-N-ethyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 105151514
N-[(2-bromo-5-chlorophenyl)methyl]-4-methylaniline
CID 66160642
5-methyl-N-[(3,4,5-trifluorophenyl)methyl]pyridin-3-amine
CID 103824113
4-bromo-N-[(2,5-dichlorophenyl)methyl]-3-iodoaniline
CID 114259513
6-bromo-N-[(2,5-dichlorophenyl)methyl]naphthalen-2-amine
CID 81266419
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-methylpyridin-3-amine
CID 103824022

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dichlorophenyl)methyl]-5-methylpyridin-3-amine?
The IUPAC name of N-[(2,5-dichlorophenyl)methyl]-5-methylpyridin-3-amine (CID 103845205) is N-[(2,5-dichlorophenyl)methyl]-5-methylpyridin-3-amine.
What is the SMILES notation for N-[(2,5-dichlorophenyl)methyl]-5-methylpyridin-3-amine?
The canonical SMILES for N-[(2,5-dichlorophenyl)methyl]-5-methylpyridin-3-amine is Cc1cncc(NCc2cc(Cl)ccc2Cl)c1.
What is the InChIKey of N-[(2,5-dichlorophenyl)methyl]-5-methylpyridin-3-amine?
The InChIKey is DCCUWXKRUUKEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2/c1-9-4-12(8-16-6-9)17-7-10-5-11(14)2-3-13(10)15/h2-6,8,17H,7H2,1H3.
What are the key properties of N-[(2,5-dichlorophenyl)methyl]-5-methylpyridin-3-amine?
N-[(2,5-dichlorophenyl)methyl]-5-methylpyridin-3-amine has a molecular weight of 267.16 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dichlorophenyl)methyl]-5-methylpyridin-3-amine is sourced from PubChem (CID 103845205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).