6-bromo-2-(2-methoxyethylamino)-3,4-dihydro-1H-naphthalene-2-carboxamide

C14H19BrN2O2 — CID 55249627

IUPAC6-bromo-2-(2-methoxyethylamino)-3,4-dihydro-1H-naphthalene-2-carboxamide
SMILESCOCCNC1(C(N)=O)CCc2cc(Br)ccc2C1
InChIInChI=1S/C14H19BrN2O2/c1-19-7-6-17-14(13(16)18)5-4-10-8-12(15)3-2-11(10)9-14/h2-3,8,17H,4-7,9H2,1H3,(H2,16,18)
InChIKeyRTSUGKDTDXKZKC-UHFFFAOYSA-N
MW327.22 g/mol
LogP1.40
Rot. Bonds5

About 6-bromo-2-(2-methoxyethylamino)-3,4-dihydro-1H-naphthalene-2-carboxamide

6-bromo-2-(2-methoxyethylamino)-3,4-dihydro-1H-naphthalene-2-carboxamide (PubChem CID 55249627) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is 6-bromo-2-(2-methoxyethylamino)-3,4-dihydro-1H-naphthalene-2-carboxamide.

Molecular Properties

Compound Name6-bromo-2-(2-methoxyethylamino)-3,4-dihydro-1H-naphthalene-2-carboxamide
PubChem CID55249627
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name6-bromo-2-(2-methoxyethylamino)-3,4-dihydro-1H-naphthalene-2-carboxamide
SMILESCOCCNC1(C(N)=O)CCc2cc(Br)ccc2C1
InChIInChI=1S/C14H19BrN2O2/c1-19-7-6-17-14(13(16)18)5-4-10-8-12(15)3-2-11(10)9-14/h2-3,8,17H,4-7,9H2,1H3,(H2,16,18)
InChIKeyRTSUGKDTDXKZKC-UHFFFAOYSA-N
XLogP1.40
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-bromo-2-[2-(dimethylamino)ethylamino]-3,4-dihydro-1H-naphthalene-2-carboxamide
CID 63630990
methyl 6-bromo-2-[2-(dimethylamino)ethylamino]-3,4-dihydro-1H-naphthalene-2-carboxylate
CID 63633254
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
methyl 6-bromo-2-(2,2,2-trifluoroethylamino)-3,4-dihydro-1H-naphthalene-2-carboxylate
CID 63631176
ethyl 6-bromo-2-(2-methylpropylamino)-3,4-dihydro-1H-naphthalene-2-carboxylate
CID 63630637
2-(propylamino)-3,4-dihydro-1H-naphthalene-2-carboxamide
CID 60797133
2-(2-azidoethylamino)-6-bromo-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 66190009
6-bromo-2-(propan-2-ylamino)-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 63630625
5-bromo-N-(2-methoxyethyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 84578269
7-methoxy-2-(2-methylpropylamino)-3,4-dihydro-1H-naphthalene-2-carboxamide
CID 115510759
2-[6-bromo-2-(dimethylamino)-3,4-dihydro-1H-naphthalen-2-yl]acetic acid
CID 64527960

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2-methoxyethylamino)-3,4-dihydro-1H-naphthalene-2-carboxamide?
The IUPAC name of 6-bromo-2-(2-methoxyethylamino)-3,4-dihydro-1H-naphthalene-2-carboxamide (CID 55249627) is 6-bromo-2-(2-methoxyethylamino)-3,4-dihydro-1H-naphthalene-2-carboxamide.
What is the SMILES notation for 6-bromo-2-(2-methoxyethylamino)-3,4-dihydro-1H-naphthalene-2-carboxamide?
The canonical SMILES for 6-bromo-2-(2-methoxyethylamino)-3,4-dihydro-1H-naphthalene-2-carboxamide is COCCNC1(C(N)=O)CCc2cc(Br)ccc2C1.
What is the InChIKey of 6-bromo-2-(2-methoxyethylamino)-3,4-dihydro-1H-naphthalene-2-carboxamide?
The InChIKey is RTSUGKDTDXKZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-19-7-6-17-14(13(16)18)5-4-10-8-12(15)3-2-11(10)9-14/h2-3,8,17H,4-7,9H2,1H3,(H2,16,18).
What are the key properties of 6-bromo-2-(2-methoxyethylamino)-3,4-dihydro-1H-naphthalene-2-carboxamide?
6-bromo-2-(2-methoxyethylamino)-3,4-dihydro-1H-naphthalene-2-carboxamide has a molecular weight of 327.22 g/mol, XLogP of 1.40, 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-methoxyethylamino)-3,4-dihydro-1H-naphthalene-2-carboxamide is sourced from PubChem (CID 55249627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).