(3,5-dichloro-2-pyridinyl)-[3-(2-methylpropyl)phenyl]methanamine

C16H18Cl2N2 — CID 116544792

IUPAC(3,5-dichloro-2-pyridinyl)-[3-(2-methylpropyl)phenyl]methanamine
SMILESCC(C)Cc1cccc(C(N)c2ncc(Cl)cc2Cl)c1
InChIInChI=1S/C16H18Cl2N2/c1-10(2)6-11-4-3-5-12(7-11)15(19)16-14(18)8-13(17)9-20-16/h3-5,7-10,15H,6,19H2,1-2H3
InChIKeyCEIAYBPKSOPJEJ-UHFFFAOYSA-N
MW309.24 g/mol
LogP4.64
Rot. Bonds4

About (3,5-dichloro-2-pyridinyl)-[3-(2-methylpropyl)phenyl]methanamine

(3,5-dichloro-2-pyridinyl)-[3-(2-methylpropyl)phenyl]methanamine (PubChem CID 116544792) has the molecular formula C16H18Cl2N2 and a molecular weight of 309.24 g/mol. Its IUPAC name is (3,5-dichloro-2-pyridinyl)-[3-(2-methylpropyl)phenyl]methanamine.

Molecular Properties

Compound Name(3,5-dichloro-2-pyridinyl)-[3-(2-methylpropyl)phenyl]methanamine
PubChem CID116544792
Molecular FormulaC16H18Cl2N2
Molecular Weight309.24 g/mol
Exact Mass308.08
IUPAC Name(3,5-dichloro-2-pyridinyl)-[3-(2-methylpropyl)phenyl]methanamine
SMILESCC(C)Cc1cccc(C(N)c2ncc(Cl)cc2Cl)c1
InChIInChI=1S/C16H18Cl2N2/c1-10(2)6-11-4-3-5-12(7-11)15(19)16-14(18)8-13(17)9-20-16/h3-5,7-10,15H,6,19H2,1-2H3
InChIKeyCEIAYBPKSOPJEJ-UHFFFAOYSA-N
XLogP4.64
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.24
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(2-methylpropyl)phenyl]-(5-methylpyrimidin-2-yl)methanamine
CID 116545007
(3,5-dichloro-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 79780298
(4-chloro-3-methylphenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 105050742
(3-chloro-4-methylphenyl)-(3,5-dichloro-2-pyridinyl)methanamine
CID 107560529
[(5-chloro-2-pyridinyl)-[3-(2-methylpropyl)phenyl]methyl]hydrazine
CID 105251622
(4-chloro-2,5-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 105050632
(5-chloro-2-pyridinyl)-[3-(2-methylpropyl)phenyl]methanol
CID 116543738
(3,4-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 116543886
(4-methoxyphenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 116543817
(4-bromophenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 116543839
1-(3,5-dichloro-2-pyridinyl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 79780808
(1-methylimidazol-2-yl)-[3-(2-methylpropyl)phenyl]methanamine
CID 116544947

Frequently Asked Questions

What is the IUPAC name of (3,5-dichloro-2-pyridinyl)-[3-(2-methylpropyl)phenyl]methanamine?
The IUPAC name of (3,5-dichloro-2-pyridinyl)-[3-(2-methylpropyl)phenyl]methanamine (CID 116544792) is (3,5-dichloro-2-pyridinyl)-[3-(2-methylpropyl)phenyl]methanamine.
What is the SMILES notation for (3,5-dichloro-2-pyridinyl)-[3-(2-methylpropyl)phenyl]methanamine?
The canonical SMILES for (3,5-dichloro-2-pyridinyl)-[3-(2-methylpropyl)phenyl]methanamine is CC(C)Cc1cccc(C(N)c2ncc(Cl)cc2Cl)c1.
What is the InChIKey of (3,5-dichloro-2-pyridinyl)-[3-(2-methylpropyl)phenyl]methanamine?
The InChIKey is CEIAYBPKSOPJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2/c1-10(2)6-11-4-3-5-12(7-11)15(19)16-14(18)8-13(17)9-20-16/h3-5,7-10,15H,6,19H2,1-2H3.
What are the key properties of (3,5-dichloro-2-pyridinyl)-[3-(2-methylpropyl)phenyl]methanamine?
(3,5-dichloro-2-pyridinyl)-[3-(2-methylpropyl)phenyl]methanamine has a molecular weight of 309.24 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichloro-2-pyridinyl)-[3-(2-methylpropyl)phenyl]methanamine is sourced from PubChem (CID 116544792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).