4-bromo-N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]naphthalen-1-amine

C17H19BrN2 — CID 1205373

IUPAC4-bromo-N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]naphthalen-1-amine
SMILESCN1CC=C(CNc2ccc(Br)c3ccccc23)CC1
InChIInChI=1S/C17H19BrN2/c1-20-10-8-13(9-11-20)12-19-17-7-6-16(18)14-4-2-3-5-15(14)17/h2-8,19H,9-12H2,1H3
InChIKeyCGHOBWQVLNOACE-UHFFFAOYSA-N
MW331.26 g/mol
LogP4.28
Rot. Bonds3

About 4-bromo-N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]naphthalen-1-amine

4-bromo-N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]naphthalen-1-amine (PubChem CID 1205373) has the molecular formula C17H19BrN2 and a molecular weight of 331.26 g/mol. Its IUPAC name is 4-bromo-N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]naphthalen-1-amine.

Molecular Properties

Compound Name4-bromo-N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]naphthalen-1-amine
PubChem CID1205373
Molecular FormulaC17H19BrN2
Molecular Weight331.26 g/mol
Exact Mass330.07
IUPAC Name4-bromo-N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]naphthalen-1-amine
SMILESCN1CC=C(CNc2ccc(Br)c3ccccc23)CC1
InChIInChI=1S/C17H19BrN2/c1-20-10-8-13(9-11-20)12-19-17-7-6-16(18)14-4-2-3-5-15(14)17/h2-8,19H,9-12H2,1H3
InChIKeyCGHOBWQVLNOACE-UHFFFAOYSA-N
XLogP4.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.26
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]naphthalen-1-amine?
The IUPAC name of 4-bromo-N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]naphthalen-1-amine (CID 1205373) is 4-bromo-N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]naphthalen-1-amine.
What is the SMILES notation for 4-bromo-N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]naphthalen-1-amine?
The canonical SMILES for 4-bromo-N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]naphthalen-1-amine is CN1CC=C(CNc2ccc(Br)c3ccccc23)CC1.
What is the InChIKey of 4-bromo-N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]naphthalen-1-amine?
The InChIKey is CGHOBWQVLNOACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2/c1-20-10-8-13(9-11-20)12-19-17-7-6-16(18)14-4-2-3-5-15(14)17/h2-8,19H,9-12H2,1H3.
What are the key properties of 4-bromo-N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]naphthalen-1-amine?
4-bromo-N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]naphthalen-1-amine has a molecular weight of 331.26 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]naphthalen-1-amine is sourced from PubChem (CID 1205373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).