(2,8-dimethoxy-3,4-dihydro-1H-naphthalen-2-yl)methanamine

C13H19NO2 — CID 105477816

IUPAC(2,8-dimethoxy-3,4-dihydro-1H-naphthalen-2-yl)methanamine
SMILESCOc1cccc2c1CC(CN)(OC)CC2
InChIInChI=1S/C13H19NO2/c1-15-12-5-3-4-10-6-7-13(9-14,16-2)8-11(10)12/h3-5H,6-9,14H2,1-2H3
InChIKeyPKRSVMZPLLMLLE-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.53
Rot. Bonds3

About (2,8-dimethoxy-3,4-dihydro-1H-naphthalen-2-yl)methanamine

(2,8-dimethoxy-3,4-dihydro-1H-naphthalen-2-yl)methanamine (PubChem CID 105477816) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is (2,8-dimethoxy-3,4-dihydro-1H-naphthalen-2-yl)methanamine.

Molecular Properties

Compound Name(2,8-dimethoxy-3,4-dihydro-1H-naphthalen-2-yl)methanamine
PubChem CID105477816
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name(2,8-dimethoxy-3,4-dihydro-1H-naphthalen-2-yl)methanamine
SMILESCOc1cccc2c1CC(CN)(OC)CC2
InChIInChI=1S/C13H19NO2/c1-15-12-5-3-4-10-6-7-13(9-14,16-2)8-11(10)12/h3-5H,6-9,14H2,1-2H3
InChIKeyPKRSVMZPLLMLLE-UHFFFAOYSA-N
XLogP1.53
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methoxy-3,3-dimethyl-2,4-dihydro-1H-naphthalene
CID 177395557
(5-methoxy-2-methyl-3,4-dihydro-1H-naphthalen-2-yl)methanamine
CID 84722148
2-(2-methoxy-8-methyl-3,4-dihydro-1H-naphthalen-2-yl)acetic acid
CID 105494487
methyl 2-amino-8-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylate
CID 58467113
5-methoxyspiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine];hydrochloride
CID 19028933
(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine;hydrochloride
CID 19888691
4-methoxy-5,6,7,8,9,10-hexahydrobenzo[8]annulene
CID 153201426
(2-methoxy-5-methyl-3,4-dihydro-1H-naphthalen-2-yl)methanol
CID 105459152
(8-methoxy-3-methyl-2,4-dihydrochromen-3-yl)methanamine
CID 84722416
1-[2-(6-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]cyclohexan-1-amine
CID 69095548
ethyl 2-[(2R)-2-hydroxy-5-methoxy-3,4-dihydro-1H-naphthalen-2-yl]acetate
CID 125113228
3-fluoro-4-methoxy-3-methyl-1,2-dihydroindene
CID 84718384

Frequently Asked Questions

What is the IUPAC name of (2,8-dimethoxy-3,4-dihydro-1H-naphthalen-2-yl)methanamine?
The IUPAC name of (2,8-dimethoxy-3,4-dihydro-1H-naphthalen-2-yl)methanamine (CID 105477816) is (2,8-dimethoxy-3,4-dihydro-1H-naphthalen-2-yl)methanamine.
What is the SMILES notation for (2,8-dimethoxy-3,4-dihydro-1H-naphthalen-2-yl)methanamine?
The canonical SMILES for (2,8-dimethoxy-3,4-dihydro-1H-naphthalen-2-yl)methanamine is COc1cccc2c1CC(CN)(OC)CC2.
What is the InChIKey of (2,8-dimethoxy-3,4-dihydro-1H-naphthalen-2-yl)methanamine?
The InChIKey is PKRSVMZPLLMLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-15-12-5-3-4-10-6-7-13(9-14,16-2)8-11(10)12/h3-5H,6-9,14H2,1-2H3.
What are the key properties of (2,8-dimethoxy-3,4-dihydro-1H-naphthalen-2-yl)methanamine?
(2,8-dimethoxy-3,4-dihydro-1H-naphthalen-2-yl)methanamine has a molecular weight of 221.30 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,8-dimethoxy-3,4-dihydro-1H-naphthalen-2-yl)methanamine is sourced from PubChem (CID 105477816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).