methyl 6-bromo-2-(cyclopropylmethylamino)-3,4-dihydro-1H-naphthalene-2-carboxylate

C16H20BrNO2 — CID 63630814

IUPACmethyl 6-bromo-2-(cyclopropylmethylamino)-3,4-dihydro-1H-naphthalene-2-carboxylate
SMILESCOC(=O)C1(NCC2CC2)CCc2cc(Br)ccc2C1
InChIInChI=1S/C16H20BrNO2/c1-20-15(19)16(18-10-11-2-3-11)7-6-12-8-14(17)5-4-13(12)9-16/h4-5,8,11,18H,2-3,6-7,9-10H2,1H3
InChIKeyOCCHZZGIJKFSKX-UHFFFAOYSA-N
MW338.25 g/mol
LogP2.85
Rot. Bonds4

About methyl 6-bromo-2-(cyclopropylmethylamino)-3,4-dihydro-1H-naphthalene-2-carboxylate

methyl 6-bromo-2-(cyclopropylmethylamino)-3,4-dihydro-1H-naphthalene-2-carboxylate (PubChem CID 63630814) has the molecular formula C16H20BrNO2 and a molecular weight of 338.25 g/mol. Its IUPAC name is methyl 6-bromo-2-(cyclopropylmethylamino)-3,4-dihydro-1H-naphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-bromo-2-(cyclopropylmethylamino)-3,4-dihydro-1H-naphthalene-2-carboxylate
PubChem CID63630814
Molecular FormulaC16H20BrNO2
Molecular Weight338.25 g/mol
Exact Mass337.07
IUPAC Namemethyl 6-bromo-2-(cyclopropylmethylamino)-3,4-dihydro-1H-naphthalene-2-carboxylate
SMILESCOC(=O)C1(NCC2CC2)CCc2cc(Br)ccc2C1
InChIInChI=1S/C16H20BrNO2/c1-20-15(19)16(18-10-11-2-3-11)7-6-12-8-14(17)5-4-13(12)9-16/h4-5,8,11,18H,2-3,6-7,9-10H2,1H3
InChIKeyOCCHZZGIJKFSKX-UHFFFAOYSA-N
XLogP2.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 6-bromo-2-(2,2,2-trifluoroethylamino)-3,4-dihydro-1H-naphthalene-2-carboxylate
CID 63631176
methyl 6-bromo-2-[2-(dimethylamino)ethylamino]-3,4-dihydro-1H-naphthalene-2-carboxylate
CID 63633254
methyl 2-(cyclopropylmethylamino)-7-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylate
CID 115510796
6-bromo-2-(2-methoxyethylamino)-3,4-dihydro-1H-naphthalene-2-carboxamide
CID 55249627
ethyl 6-bromo-2-(2-methylpropylamino)-3,4-dihydro-1H-naphthalene-2-carboxylate
CID 63630637
ethyl 6-bromo-2-(methylamino)-3,4-dihydro-1H-naphthalene-2-carboxylate
CID 63632055
6-bromo-2-[2-(dimethylamino)ethylamino]-3,4-dihydro-1H-naphthalene-2-carboxamide
CID 63630990
6-bromo-2-(propan-2-ylamino)-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 63630625
5-chloro-2-(cyclopropylmethylamino)-1,3-dihydroindene-2-carboxylic acid
CID 115349312
methyl (2R)-2-amino-7-bromo-3,4-dihydro-1H-naphthalene-2-carboxylate
CID 58466875
2-(2-azidoethylamino)-6-bromo-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 66190009
methyl 7-bromo-2'-propan-2-ylspiro[2,4-dihydro-1H-naphthalene-3,3'-oxirane]-2'-carboxylate
CID 79298958

Frequently Asked Questions

What is the IUPAC name of methyl 6-bromo-2-(cyclopropylmethylamino)-3,4-dihydro-1H-naphthalene-2-carboxylate?
The IUPAC name of methyl 6-bromo-2-(cyclopropylmethylamino)-3,4-dihydro-1H-naphthalene-2-carboxylate (CID 63630814) is methyl 6-bromo-2-(cyclopropylmethylamino)-3,4-dihydro-1H-naphthalene-2-carboxylate.
What is the SMILES notation for methyl 6-bromo-2-(cyclopropylmethylamino)-3,4-dihydro-1H-naphthalene-2-carboxylate?
The canonical SMILES for methyl 6-bromo-2-(cyclopropylmethylamino)-3,4-dihydro-1H-naphthalene-2-carboxylate is COC(=O)C1(NCC2CC2)CCc2cc(Br)ccc2C1.
What is the InChIKey of methyl 6-bromo-2-(cyclopropylmethylamino)-3,4-dihydro-1H-naphthalene-2-carboxylate?
The InChIKey is OCCHZZGIJKFSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNO2/c1-20-15(19)16(18-10-11-2-3-11)7-6-12-8-14(17)5-4-13(12)9-16/h4-5,8,11,18H,2-3,6-7,9-10H2,1H3.
What are the key properties of methyl 6-bromo-2-(cyclopropylmethylamino)-3,4-dihydro-1H-naphthalene-2-carboxylate?
methyl 6-bromo-2-(cyclopropylmethylamino)-3,4-dihydro-1H-naphthalene-2-carboxylate has a molecular weight of 338.25 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-bromo-2-(cyclopropylmethylamino)-3,4-dihydro-1H-naphthalene-2-carboxylate is sourced from PubChem (CID 63630814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).