N-(3,4-dichlorophenyl)-5-[(2-methylpropylamino)methyl]-4-propan-2-ylpyridin-2-amine

C19H25Cl2N3 — CID 11418482

IUPACN-(3,4-dichlorophenyl)-5-[(2-methylpropylamino)methyl]-4-propan-2-ylpyridin-2-amine
SMILESCC(C)CNCc1cnc(Nc2ccc(Cl)c(Cl)c2)cc1C(C)C
InChIInChI=1S/C19H25Cl2N3/c1-12(2)9-22-10-14-11-23-19(8-16(14)13(3)4)24-15-5-6-17(20)18(21)7-15/h5-8,11-13,22H,9-10H2,1-4H3,(H,23,24)
InChIKeyWRLIFYDQDAJTJH-UHFFFAOYSA-N
MW366.34 g/mol
LogP6.00
Rot. Bonds7

About N-(3,4-dichlorophenyl)-5-[(2-methylpropylamino)methyl]-4-propan-2-ylpyridin-2-amine

N-(3,4-dichlorophenyl)-5-[(2-methylpropylamino)methyl]-4-propan-2-ylpyridin-2-amine (PubChem CID 11418482) has the molecular formula C19H25Cl2N3 and a molecular weight of 366.34 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-5-[(2-methylpropylamino)methyl]-4-propan-2-ylpyridin-2-amine.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-5-[(2-methylpropylamino)methyl]-4-propan-2-ylpyridin-2-amine
PubChem CID11418482
Molecular FormulaC19H25Cl2N3
Molecular Weight366.34 g/mol
Exact Mass365.14
IUPAC NameN-(3,4-dichlorophenyl)-5-[(2-methylpropylamino)methyl]-4-propan-2-ylpyridin-2-amine
SMILESCC(C)CNCc1cnc(Nc2ccc(Cl)c(Cl)c2)cc1C(C)C
InChIInChI=1S/C19H25Cl2N3/c1-12(2)9-22-10-14-11-23-19(8-16(14)13(3)4)24-15-5-6-17(20)18(21)7-15/h5-8,11-13,22H,9-10H2,1-4H3,(H,23,24)
InChIKeyWRLIFYDQDAJTJH-UHFFFAOYSA-N
XLogP6.00
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.34
LogP ≤ 56.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-5-[(2-methylpropylamino)methyl]-4-propan-2-ylpyridin-2-amine?
The IUPAC name of N-(3,4-dichlorophenyl)-5-[(2-methylpropylamino)methyl]-4-propan-2-ylpyridin-2-amine (CID 11418482) is N-(3,4-dichlorophenyl)-5-[(2-methylpropylamino)methyl]-4-propan-2-ylpyridin-2-amine.
What is the SMILES notation for N-(3,4-dichlorophenyl)-5-[(2-methylpropylamino)methyl]-4-propan-2-ylpyridin-2-amine?
The canonical SMILES for N-(3,4-dichlorophenyl)-5-[(2-methylpropylamino)methyl]-4-propan-2-ylpyridin-2-amine is CC(C)CNCc1cnc(Nc2ccc(Cl)c(Cl)c2)cc1C(C)C.
What is the InChIKey of N-(3,4-dichlorophenyl)-5-[(2-methylpropylamino)methyl]-4-propan-2-ylpyridin-2-amine?
The InChIKey is WRLIFYDQDAJTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25Cl2N3/c1-12(2)9-22-10-14-11-23-19(8-16(14)13(3)4)24-15-5-6-17(20)18(21)7-15/h5-8,11-13,22H,9-10H2,1-4H3,(H,23,24).
What are the key properties of N-(3,4-dichlorophenyl)-5-[(2-methylpropylamino)methyl]-4-propan-2-ylpyridin-2-amine?
N-(3,4-dichlorophenyl)-5-[(2-methylpropylamino)methyl]-4-propan-2-ylpyridin-2-amine has a molecular weight of 366.34 g/mol, XLogP of 6.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-5-[(2-methylpropylamino)methyl]-4-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 11418482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).