2-(aminomethyl)-6-bromo-N-(2,2-difluoroethyl)-3,4-dihydro-1H-naphthalen-2-amine

C13H17BrF2N2 — CID 113303703

IUPAC2-(aminomethyl)-6-bromo-N-(2,2-difluoroethyl)-3,4-dihydro-1H-naphthalen-2-amine
SMILESNCC1(NCC(F)F)CCc2cc(Br)ccc2C1
InChIInChI=1S/C13H17BrF2N2/c14-11-2-1-10-6-13(8-17,18-7-12(15)16)4-3-9(10)5-11/h1-2,5,12,18H,3-4,6-8,17H2
InChIKeyMNVMKDMCQWJQPT-UHFFFAOYSA-N
MW319.19 g/mol
LogP2.49
Rot. Bonds4

About 2-(aminomethyl)-6-bromo-N-(2,2-difluoroethyl)-3,4-dihydro-1H-naphthalen-2-amine

2-(aminomethyl)-6-bromo-N-(2,2-difluoroethyl)-3,4-dihydro-1H-naphthalen-2-amine (PubChem CID 113303703) has the molecular formula C13H17BrF2N2 and a molecular weight of 319.19 g/mol. Its IUPAC name is 2-(aminomethyl)-6-bromo-N-(2,2-difluoroethyl)-3,4-dihydro-1H-naphthalen-2-amine.

Molecular Properties

Compound Name2-(aminomethyl)-6-bromo-N-(2,2-difluoroethyl)-3,4-dihydro-1H-naphthalen-2-amine
PubChem CID113303703
Molecular FormulaC13H17BrF2N2
Molecular Weight319.19 g/mol
Exact Mass318.05
IUPAC Name2-(aminomethyl)-6-bromo-N-(2,2-difluoroethyl)-3,4-dihydro-1H-naphthalen-2-amine
SMILESNCC1(NCC(F)F)CCc2cc(Br)ccc2C1
InChIInChI=1S/C13H17BrF2N2/c14-11-2-1-10-6-13(8-17,18-7-12(15)16)4-3-9(10)5-11/h1-2,5,12,18H,3-4,6-8,17H2
InChIKeyMNVMKDMCQWJQPT-UHFFFAOYSA-N
XLogP2.49
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.19
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-6-bromo-N-(2,2-difluoroethyl)-3,4-dihydro-1H-naphthalen-2-amine?
The IUPAC name of 2-(aminomethyl)-6-bromo-N-(2,2-difluoroethyl)-3,4-dihydro-1H-naphthalen-2-amine (CID 113303703) is 2-(aminomethyl)-6-bromo-N-(2,2-difluoroethyl)-3,4-dihydro-1H-naphthalen-2-amine.
What is the SMILES notation for 2-(aminomethyl)-6-bromo-N-(2,2-difluoroethyl)-3,4-dihydro-1H-naphthalen-2-amine?
The canonical SMILES for 2-(aminomethyl)-6-bromo-N-(2,2-difluoroethyl)-3,4-dihydro-1H-naphthalen-2-amine is NCC1(NCC(F)F)CCc2cc(Br)ccc2C1.
What is the InChIKey of 2-(aminomethyl)-6-bromo-N-(2,2-difluoroethyl)-3,4-dihydro-1H-naphthalen-2-amine?
The InChIKey is MNVMKDMCQWJQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrF2N2/c14-11-2-1-10-6-13(8-17,18-7-12(15)16)4-3-9(10)5-11/h1-2,5,12,18H,3-4,6-8,17H2.
What are the key properties of 2-(aminomethyl)-6-bromo-N-(2,2-difluoroethyl)-3,4-dihydro-1H-naphthalen-2-amine?
2-(aminomethyl)-6-bromo-N-(2,2-difluoroethyl)-3,4-dihydro-1H-naphthalen-2-amine has a molecular weight of 319.19 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-6-bromo-N-(2,2-difluoroethyl)-3,4-dihydro-1H-naphthalen-2-amine is sourced from PubChem (CID 113303703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).