6-bromo-2-[2-(dimethylamino)ethylamino]-3,4-dihydro-1H-naphthalene-2-carboxamide

C15H22BrN3O — CID 63630990

IUPAC6-bromo-2-[2-(dimethylamino)ethylamino]-3,4-dihydro-1H-naphthalene-2-carboxamide
SMILESCN(C)CCNC1(C(N)=O)CCc2cc(Br)ccc2C1
InChIInChI=1S/C15H22BrN3O/c1-19(2)8-7-18-15(14(17)20)6-5-11-9-13(16)4-3-12(11)10-15/h3-4,9,18H,5-8,10H2,1-2H3,(H2,17,20)
InChIKeyMUBPGGWVZDTAQF-UHFFFAOYSA-N
MW340.27 g/mol
LogP1.31
Rot. Bonds5

About 6-bromo-2-[2-(dimethylamino)ethylamino]-3,4-dihydro-1H-naphthalene-2-carboxamide

6-bromo-2-[2-(dimethylamino)ethylamino]-3,4-dihydro-1H-naphthalene-2-carboxamide (PubChem CID 63630990) has the molecular formula C15H22BrN3O and a molecular weight of 340.27 g/mol. Its IUPAC name is 6-bromo-2-[2-(dimethylamino)ethylamino]-3,4-dihydro-1H-naphthalene-2-carboxamide.

Molecular Properties

Compound Name6-bromo-2-[2-(dimethylamino)ethylamino]-3,4-dihydro-1H-naphthalene-2-carboxamide
PubChem CID63630990
Molecular FormulaC15H22BrN3O
Molecular Weight340.27 g/mol
Exact Mass339.09
IUPAC Name6-bromo-2-[2-(dimethylamino)ethylamino]-3,4-dihydro-1H-naphthalene-2-carboxamide
SMILESCN(C)CCNC1(C(N)=O)CCc2cc(Br)ccc2C1
InChIInChI=1S/C15H22BrN3O/c1-19(2)8-7-18-15(14(17)20)6-5-11-9-13(16)4-3-12(11)10-15/h3-4,9,18H,5-8,10H2,1-2H3,(H2,17,20)
InChIKeyMUBPGGWVZDTAQF-UHFFFAOYSA-N
XLogP1.31
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.27
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-bromo-2-[2-(dimethylamino)ethylamino]-3,4-dihydro-1H-naphthalene-2-carboxamide 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

methyl 6-bromo-2-[2-(dimethylamino)ethylamino]-3,4-dihydro-1H-naphthalene-2-carboxylate
CID 63633254
6-bromo-2-(2-methoxyethylamino)-3,4-dihydro-1H-naphthalene-2-carboxamide
CID 55249627
methyl 6-bromo-2-(cyclopropylmethylamino)-3,4-dihydro-1H-naphthalene-2-carboxylate
CID 63630814
ethyl 6-bromo-2-(methylamino)-3,4-dihydro-1H-naphthalene-2-carboxylate
CID 63632055
2-(propylamino)-3,4-dihydro-1H-naphthalene-2-carboxamide
CID 60797133
1-[2-(dimethylamino)ethylamino]cyclobutane-1-carboxamide
CID 60996759
2-(2-azidoethylamino)-6-bromo-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 66190009
ethyl 6-bromo-2-(2-methylpropylamino)-3,4-dihydro-1H-naphthalene-2-carboxylate
CID 63630637
6-bromo-2-(propan-2-ylamino)-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 63630625
methyl 6-bromo-2-(2,2,2-trifluoroethylamino)-3,4-dihydro-1H-naphthalene-2-carboxylate
CID 63631176
2-[6-bromo-2-(dimethylamino)-3,4-dihydro-1H-naphthalen-2-yl]acetic acid
CID 64527960
2-[2-(diethylamino)ethylamino]-1,3-dihydroindene-2-carboxamide
CID 61005096

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-[2-(dimethylamino)ethylamino]-3,4-dihydro-1H-naphthalene-2-carboxamide?
The IUPAC name of 6-bromo-2-[2-(dimethylamino)ethylamino]-3,4-dihydro-1H-naphthalene-2-carboxamide (CID 63630990) is 6-bromo-2-[2-(dimethylamino)ethylamino]-3,4-dihydro-1H-naphthalene-2-carboxamide.
What is the SMILES notation for 6-bromo-2-[2-(dimethylamino)ethylamino]-3,4-dihydro-1H-naphthalene-2-carboxamide?
The canonical SMILES for 6-bromo-2-[2-(dimethylamino)ethylamino]-3,4-dihydro-1H-naphthalene-2-carboxamide is CN(C)CCNC1(C(N)=O)CCc2cc(Br)ccc2C1.
What is the InChIKey of 6-bromo-2-[2-(dimethylamino)ethylamino]-3,4-dihydro-1H-naphthalene-2-carboxamide?
The InChIKey is MUBPGGWVZDTAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O/c1-19(2)8-7-18-15(14(17)20)6-5-11-9-13(16)4-3-12(11)10-15/h3-4,9,18H,5-8,10H2,1-2H3,(H2,17,20).
What are the key properties of 6-bromo-2-[2-(dimethylamino)ethylamino]-3,4-dihydro-1H-naphthalene-2-carboxamide?
6-bromo-2-[2-(dimethylamino)ethylamino]-3,4-dihydro-1H-naphthalene-2-carboxamide has a molecular weight of 340.27 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-[2-(dimethylamino)ethylamino]-3,4-dihydro-1H-naphthalene-2-carboxamide is sourced from PubChem (CID 63630990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).