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

C18H27BrN2 — CID 63632731

IUPAC[6-bromo-2-(2,4-dimethylpiperidin-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine
SMILESCC1CCN(C2(CN)CCc3cc(Br)ccc3C2)C(C)C1
InChIInChI=1S/C18H27BrN2/c1-13-6-8-21(14(2)9-13)18(12-20)7-5-15-10-17(19)4-3-16(15)11-18/h3-4,10,13-14H,5-9,11-12,20H2,1-2H3
InChIKeyVNIXGOUNRUURKM-UHFFFAOYSA-N
MW351.33 g/mol
LogP3.76
Rot. Bonds2

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

[6-bromo-2-(2,4-dimethylpiperidin-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine (PubChem CID 63632731) has the molecular formula C18H27BrN2 and a molecular weight of 351.33 g/mol. Its IUPAC name is [6-bromo-2-(2,4-dimethylpiperidin-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine.

Molecular Properties

Compound Name[6-bromo-2-(2,4-dimethylpiperidin-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine
PubChem CID63632731
Molecular FormulaC18H27BrN2
Molecular Weight351.33 g/mol
Exact Mass350.14
IUPAC Name[6-bromo-2-(2,4-dimethylpiperidin-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine
SMILESCC1CCN(C2(CN)CCc3cc(Br)ccc3C2)C(C)C1
InChIInChI=1S/C18H27BrN2/c1-13-6-8-21(14(2)9-13)18(12-20)7-5-15-10-17(19)4-3-16(15)11-18/h3-4,10,13-14H,5-9,11-12,20H2,1-2H3
InChIKeyVNIXGOUNRUURKM-UHFFFAOYSA-N
XLogP3.76
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [6-bromo-2-(2,4-dimethylpiperidin-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

Related Compounds

[6-bromo-2-(2,6-dimethylmorpholin-4-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine
CID 63630602
[1-(2,4-dimethylpiperidin-1-yl)cyclopropyl]methanamine
CID 106661194
[4-(2,4-dimethylpiperidin-1-yl)thian-4-yl]methanamine
CID 62331186
[1-(2,4-dimethylpiperidin-1-yl)-3,3-dimethylcyclopentyl]methanamine
CID 80705152
[4-(2,4-dimethylpiperidin-1-yl)-1-propan-2-ylpiperidin-4-yl]methanamine
CID 55062043
[1-(2,4-dimethylpiperidin-1-yl)-3-ethylcyclopentyl]methanamine
CID 64500735
[1-(2,4-dimethylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexyl]methanamine
CID 64755313
[3-(2,4-dimethylpiperidin-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine
CID 55061316
2-(aminomethyl)-6-bromo-N-(cyclopropylmethyl)-N-methyl-3,4-dihydro-1H-naphthalen-2-amine
CID 63632717
[1-(2,4-dimethylpiperidin-1-yl)-4-ethylcycloheptyl]methanamine
CID 65088627
[4-(2,4-dimethylpiperidin-1-yl)-1-ethylazepan-4-yl]methanamine
CID 65076024
[2-(3-methylpiperidin-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine
CID 60796225

Frequently Asked Questions

What is the IUPAC name of [6-bromo-2-(2,4-dimethylpiperidin-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine?
The IUPAC name of [6-bromo-2-(2,4-dimethylpiperidin-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine (CID 63632731) is [6-bromo-2-(2,4-dimethylpiperidin-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine.
What is the SMILES notation for [6-bromo-2-(2,4-dimethylpiperidin-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine?
The canonical SMILES for [6-bromo-2-(2,4-dimethylpiperidin-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine is CC1CCN(C2(CN)CCc3cc(Br)ccc3C2)C(C)C1.
What is the InChIKey of [6-bromo-2-(2,4-dimethylpiperidin-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine?
The InChIKey is VNIXGOUNRUURKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27BrN2/c1-13-6-8-21(14(2)9-13)18(12-20)7-5-15-10-17(19)4-3-16(15)11-18/h3-4,10,13-14H,5-9,11-12,20H2,1-2H3.
What are the key properties of [6-bromo-2-(2,4-dimethylpiperidin-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine?
[6-bromo-2-(2,4-dimethylpiperidin-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine has a molecular weight of 351.33 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-bromo-2-(2,4-dimethylpiperidin-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine is sourced from PubChem (CID 63632731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).