methyl 2-(cyclopropylmethylamino)-7-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylate

C17H23NO3 — CID 115510796

IUPACmethyl 2-(cyclopropylmethylamino)-7-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylate
SMILESCOC(=O)C1(NCC2CC2)CCc2ccc(OC)cc2C1
InChIInChI=1S/C17H23NO3/c1-20-15-6-5-13-7-8-17(16(19)21-2,10-14(13)9-15)18-11-12-3-4-12/h5-6,9,12,18H,3-4,7-8,10-11H2,1-2H3
InChIKeyGVWOPOYYYSGUJQ-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.10
Rot. Bonds5

About methyl 2-(cyclopropylmethylamino)-7-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylate

methyl 2-(cyclopropylmethylamino)-7-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylate (PubChem CID 115510796) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is methyl 2-(cyclopropylmethylamino)-7-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 2-(cyclopropylmethylamino)-7-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylate
PubChem CID115510796
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Namemethyl 2-(cyclopropylmethylamino)-7-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylate
SMILESCOC(=O)C1(NCC2CC2)CCc2ccc(OC)cc2C1
InChIInChI=1S/C17H23NO3/c1-20-15-6-5-13-7-8-17(16(19)21-2,10-14(13)9-15)18-11-12-3-4-12/h5-6,9,12,18H,3-4,7-8,10-11H2,1-2H3
InChIKeyGVWOPOYYYSGUJQ-UHFFFAOYSA-N
XLogP2.10
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 6-bromo-2-(cyclopropylmethylamino)-3,4-dihydro-1H-naphthalene-2-carboxylate
CID 63630814
methyl 1-(cyclopropylmethylamino)-6-methoxy-3,4-dihydro-2H-naphthalene-1-carboxylate
CID 61001121
2-(ethylamino)-7-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 115510779
7-methoxy-2-(2-methylpropylamino)-3,4-dihydro-1H-naphthalene-2-carboxamide
CID 115510759
7-methoxy-2-(2-methylpropylamino)-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 115510793
2-(butan-2-ylamino)-7-methoxy-3,4-dihydro-1H-naphthalene-2-carboxamide
CID 115510770
methyl 2-[2-(ethylamino)-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl]acetate
CID 115511201
methyl 1-amino-5-methoxy-2,3-dihydroindene-1-carboxylate
CID 83910529
7-methoxy-2-(methylaminomethyl)-3,4-dihydro-1H-naphthalen-2-ol
CID 115511135
methyl 7-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4-dihydro-1H-naphthalene-2-carboxylate
CID 67806787
2-methoxy-N-[(6-methoxyspiro[2,4-dihydro-1H-naphthalene-3,2'-cyclopropane]-1'-yl)methyl]ethanamine
CID 115511120
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-7-naphthalen-2-yloxy-3,4-dihydro-1H-naphthalene-2-carboxylate
CID 169210407

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopropylmethylamino)-7-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylate?
The IUPAC name of methyl 2-(cyclopropylmethylamino)-7-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylate (CID 115510796) is methyl 2-(cyclopropylmethylamino)-7-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylate.
What is the SMILES notation for methyl 2-(cyclopropylmethylamino)-7-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylate?
The canonical SMILES for methyl 2-(cyclopropylmethylamino)-7-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylate is COC(=O)C1(NCC2CC2)CCc2ccc(OC)cc2C1.
What is the InChIKey of methyl 2-(cyclopropylmethylamino)-7-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylate?
The InChIKey is GVWOPOYYYSGUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-20-15-6-5-13-7-8-17(16(19)21-2,10-14(13)9-15)18-11-12-3-4-12/h5-6,9,12,18H,3-4,7-8,10-11H2,1-2H3.
What are the key properties of methyl 2-(cyclopropylmethylamino)-7-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylate?
methyl 2-(cyclopropylmethylamino)-7-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylate has a molecular weight of 289.38 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopropylmethylamino)-7-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylate is sourced from PubChem (CID 115510796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).