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

C16H25BrN2O — CID 63630798

IUPAC2-(aminomethyl)-6-bromo-N-ethyl-N-(2-methoxyethyl)-3,4-dihydro-1H-naphthalen-2-amine
SMILESCCN(CCOC)C1(CN)CCc2cc(Br)ccc2C1
InChIInChI=1S/C16H25BrN2O/c1-3-19(8-9-20-2)16(12-18)7-6-13-10-15(17)5-4-14(13)11-16/h4-5,10H,3,6-9,11-12,18H2,1-2H3
InChIKeyNAFMOPQRCGRESQ-UHFFFAOYSA-N
MW341.29 g/mol
LogP2.60
Rot. Bonds6

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

2-(aminomethyl)-6-bromo-N-ethyl-N-(2-methoxyethyl)-3,4-dihydro-1H-naphthalen-2-amine (PubChem CID 63630798) has the molecular formula C16H25BrN2O and a molecular weight of 341.29 g/mol. Its IUPAC name is 2-(aminomethyl)-6-bromo-N-ethyl-N-(2-methoxyethyl)-3,4-dihydro-1H-naphthalen-2-amine.

Molecular Properties

Compound Name2-(aminomethyl)-6-bromo-N-ethyl-N-(2-methoxyethyl)-3,4-dihydro-1H-naphthalen-2-amine
PubChem CID63630798
Molecular FormulaC16H25BrN2O
Molecular Weight341.29 g/mol
Exact Mass340.12
IUPAC Name2-(aminomethyl)-6-bromo-N-ethyl-N-(2-methoxyethyl)-3,4-dihydro-1H-naphthalen-2-amine
SMILESCCN(CCOC)C1(CN)CCc2cc(Br)ccc2C1
InChIInChI=1S/C16H25BrN2O/c1-3-19(8-9-20-2)16(12-18)7-6-13-10-15(17)5-4-14(13)11-16/h4-5,10H,3,6-9,11-12,18H2,1-2H3
InChIKeyNAFMOPQRCGRESQ-UHFFFAOYSA-N
XLogP2.60
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-6-bromo-N-ethyl-N-(2-methoxyethyl)-3,4-dihydro-1H-naphthalen-2-amine?
The IUPAC name of 2-(aminomethyl)-6-bromo-N-ethyl-N-(2-methoxyethyl)-3,4-dihydro-1H-naphthalen-2-amine (CID 63630798) is 2-(aminomethyl)-6-bromo-N-ethyl-N-(2-methoxyethyl)-3,4-dihydro-1H-naphthalen-2-amine.
What is the SMILES notation for 2-(aminomethyl)-6-bromo-N-ethyl-N-(2-methoxyethyl)-3,4-dihydro-1H-naphthalen-2-amine?
The canonical SMILES for 2-(aminomethyl)-6-bromo-N-ethyl-N-(2-methoxyethyl)-3,4-dihydro-1H-naphthalen-2-amine is CCN(CCOC)C1(CN)CCc2cc(Br)ccc2C1.
What is the InChIKey of 2-(aminomethyl)-6-bromo-N-ethyl-N-(2-methoxyethyl)-3,4-dihydro-1H-naphthalen-2-amine?
The InChIKey is NAFMOPQRCGRESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O/c1-3-19(8-9-20-2)16(12-18)7-6-13-10-15(17)5-4-14(13)11-16/h4-5,10H,3,6-9,11-12,18H2,1-2H3.
What are the key properties of 2-(aminomethyl)-6-bromo-N-ethyl-N-(2-methoxyethyl)-3,4-dihydro-1H-naphthalen-2-amine?
2-(aminomethyl)-6-bromo-N-ethyl-N-(2-methoxyethyl)-3,4-dihydro-1H-naphthalen-2-amine has a molecular weight of 341.29 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-6-bromo-N-ethyl-N-(2-methoxyethyl)-3,4-dihydro-1H-naphthalen-2-amine is sourced from PubChem (CID 63630798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).