2-(3-aminopropyl)-7-methoxyspiro[3,4-dihydronaphthalene-1,1'-cyclopentane]-2-ol

C18H27NO2 — CID 19983228

IUPAC2-(3-aminopropyl)-7-methoxyspiro[3,4-dihydronaphthalene-1,1'-cyclopentane]-2-ol
SMILESCOc1ccc2c(c1)C1(CCCC1)C(O)(CCCN)CC2
InChIInChI=1S/C18H27NO2/c1-21-15-6-5-14-7-11-18(20,10-4-12-19)17(16(14)13-15)8-2-3-9-17/h5-6,13,20H,2-4,7-12,19H2,1H3
InChIKeyNQMMYRKWKGGVQG-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.92
Rot. Bonds4

About 2-(3-aminopropyl)-7-methoxyspiro[3,4-dihydronaphthalene-1,1'-cyclopentane]-2-ol

2-(3-aminopropyl)-7-methoxyspiro[3,4-dihydronaphthalene-1,1'-cyclopentane]-2-ol (PubChem CID 19983228) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-(3-aminopropyl)-7-methoxyspiro[3,4-dihydronaphthalene-1,1'-cyclopentane]-2-ol.

Molecular Properties

Compound Name2-(3-aminopropyl)-7-methoxyspiro[3,4-dihydronaphthalene-1,1'-cyclopentane]-2-ol
PubChem CID19983228
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name2-(3-aminopropyl)-7-methoxyspiro[3,4-dihydronaphthalene-1,1'-cyclopentane]-2-ol
SMILESCOc1ccc2c(c1)C1(CCCC1)C(O)(CCCN)CC2
InChIInChI=1S/C18H27NO2/c1-21-15-6-5-14-7-11-18(20,10-4-12-19)17(16(14)13-15)8-2-3-9-17/h5-6,13,20H,2-4,7-12,19H2,1H3
InChIKeyNQMMYRKWKGGVQG-UHFFFAOYSA-N
XLogP2.92
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-aminoethyl)spiro[3,4-dihydronaphthalene-1,1'-cyclopentane]-2-ol
CID 19983233
1-butyl-7-methoxy-3,4-dihydro-2H-naphthalen-1-ol
CID 102290359
6-methoxy-1-[(propan-2-ylamino)methyl]-2,3-dihydroinden-1-ol
CID 79368955
1-(aminomethyl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine
CID 79248291
1-hexyl-6-methoxy-2,3-dihydroinden-1-ol
CID 79375059
6-methoxy-1-(methoxymethyl)-2,3-dihydroinden-1-ol
CID 79568236
2-[(1R)-7-methoxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]ethanol
CID 11775651
(4bS,8aR)-4b-[2-(dimethylamino)ethyl]-3-methoxy-5,6,7,8,9,10-hexahydrophenanthren-8a-ol
CID 57247370
6-methoxy-1-(2-phenylethyl)-2,3-dihydroinden-1-ol
CID 79374356
1-cyclopentyl-6-methoxy-2,3-dihydroinden-1-ol
CID 79374780
1-(3,3-dimethylbutyl)-6-methoxy-2,3-dihydroinden-1-amine
CID 79374434
1-(aminomethyl)-7-methoxy-N,N-dimethyl-3,4-dihydro-2H-naphthalen-1-amine
CID 79248766

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropyl)-7-methoxyspiro[3,4-dihydronaphthalene-1,1'-cyclopentane]-2-ol?
The IUPAC name of 2-(3-aminopropyl)-7-methoxyspiro[3,4-dihydronaphthalene-1,1'-cyclopentane]-2-ol (CID 19983228) is 2-(3-aminopropyl)-7-methoxyspiro[3,4-dihydronaphthalene-1,1'-cyclopentane]-2-ol.
What is the SMILES notation for 2-(3-aminopropyl)-7-methoxyspiro[3,4-dihydronaphthalene-1,1'-cyclopentane]-2-ol?
The canonical SMILES for 2-(3-aminopropyl)-7-methoxyspiro[3,4-dihydronaphthalene-1,1'-cyclopentane]-2-ol is COc1ccc2c(c1)C1(CCCC1)C(O)(CCCN)CC2.
What is the InChIKey of 2-(3-aminopropyl)-7-methoxyspiro[3,4-dihydronaphthalene-1,1'-cyclopentane]-2-ol?
The InChIKey is NQMMYRKWKGGVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-21-15-6-5-14-7-11-18(20,10-4-12-19)17(16(14)13-15)8-2-3-9-17/h5-6,13,20H,2-4,7-12,19H2,1H3.
What are the key properties of 2-(3-aminopropyl)-7-methoxyspiro[3,4-dihydronaphthalene-1,1'-cyclopentane]-2-ol?
2-(3-aminopropyl)-7-methoxyspiro[3,4-dihydronaphthalene-1,1'-cyclopentane]-2-ol has a molecular weight of 289.42 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropyl)-7-methoxyspiro[3,4-dihydronaphthalene-1,1'-cyclopentane]-2-ol is sourced from PubChem (CID 19983228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).