[6-bromo-2-(3-methylpyrrolidin-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine

C16H23BrN2 — CID 55247692

IUPAC[6-bromo-2-(3-methylpyrrolidin-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine
SMILESCC1CCN(C2(CN)CCc3cc(Br)ccc3C2)C1
InChIInChI=1S/C16H23BrN2/c1-12-5-7-19(10-12)16(11-18)6-4-13-8-15(17)3-2-14(13)9-16/h2-3,8,12H,4-7,9-11,18H2,1H3
InChIKeyVITYNQLJBGTJFR-UHFFFAOYSA-N
MW323.28 g/mol
LogP2.98
Rot. Bonds2

About [6-bromo-2-(3-methylpyrrolidin-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine

[6-bromo-2-(3-methylpyrrolidin-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine (PubChem CID 55247692) has the molecular formula C16H23BrN2 and a molecular weight of 323.28 g/mol. Its IUPAC name is [6-bromo-2-(3-methylpyrrolidin-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine.

Molecular Properties

Compound Name[6-bromo-2-(3-methylpyrrolidin-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine
PubChem CID55247692
Molecular FormulaC16H23BrN2
Molecular Weight323.28 g/mol
Exact Mass322.10
IUPAC Name[6-bromo-2-(3-methylpyrrolidin-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine
SMILESCC1CCN(C2(CN)CCc3cc(Br)ccc3C2)C1
InChIInChI=1S/C16H23BrN2/c1-12-5-7-19(10-12)16(11-18)6-4-13-8-15(17)3-2-14(13)9-16/h2-3,8,12H,4-7,9-11,18H2,1H3
InChIKeyVITYNQLJBGTJFR-UHFFFAOYSA-N
XLogP2.98
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.28
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [6-bromo-2-(3-methylpyrrolidin-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [6-bromo-2-(3-methylpyrrolidin-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine?
The IUPAC name of [6-bromo-2-(3-methylpyrrolidin-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine (CID 55247692) is [6-bromo-2-(3-methylpyrrolidin-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine.
What is the SMILES notation for [6-bromo-2-(3-methylpyrrolidin-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine?
The canonical SMILES for [6-bromo-2-(3-methylpyrrolidin-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine is CC1CCN(C2(CN)CCc3cc(Br)ccc3C2)C1.
What is the InChIKey of [6-bromo-2-(3-methylpyrrolidin-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine?
The InChIKey is VITYNQLJBGTJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2/c1-12-5-7-19(10-12)16(11-18)6-4-13-8-15(17)3-2-14(13)9-16/h2-3,8,12H,4-7,9-11,18H2,1H3.
What are the key properties of [6-bromo-2-(3-methylpyrrolidin-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine?
[6-bromo-2-(3-methylpyrrolidin-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine has a molecular weight of 323.28 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-bromo-2-(3-methylpyrrolidin-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine is sourced from PubChem (CID 55247692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).