(8-methoxy-1-methyl-3,4-dihydronaphthalen-2-yl)methanamine

C13H17NO — CID 115057448

IUPAC(8-methoxy-1-methyl-3,4-dihydronaphthalen-2-yl)methanamine
SMILESCOc1cccc2c1C(C)=C(CN)CC2
InChIInChI=1S/C13H17NO/c1-9-11(8-14)7-6-10-4-3-5-12(15-2)13(9)10/h3-5H,6-8,14H2,1-2H3
InChIKeyKBCKZIFNCWAHMQ-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.37
Rot. Bonds2

About (8-methoxy-1-methyl-3,4-dihydronaphthalen-2-yl)methanamine

(8-methoxy-1-methyl-3,4-dihydronaphthalen-2-yl)methanamine (PubChem CID 115057448) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is (8-methoxy-1-methyl-3,4-dihydronaphthalen-2-yl)methanamine.

Molecular Properties

Compound Name(8-methoxy-1-methyl-3,4-dihydronaphthalen-2-yl)methanamine
PubChem CID115057448
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name(8-methoxy-1-methyl-3,4-dihydronaphthalen-2-yl)methanamine
SMILESCOc1cccc2c1C(C)=C(CN)CC2
InChIInChI=1S/C13H17NO/c1-9-11(8-14)7-6-10-4-3-5-12(15-2)13(9)10/h3-5H,6-8,14H2,1-2H3
InChIKeyKBCKZIFNCWAHMQ-UHFFFAOYSA-N
XLogP2.37
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-methoxy-1-methyl-3,4-dihydronaphthalene-2-carbaldehyde
CID 115057497
8-methoxy-1-methyl-3,4-dihydronaphthalene-2-carboxylic acid
CID 115057450
(5-methoxy-2-methyl-3,4-dihydro-1H-naphthalen-2-yl)methanamine
CID 84722148
2-amino-8-methoxy-3,4-dihydro-2H-naphthalen-1-one;hydrochloride
CID 19862989
4,13,22-trimethoxyheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3(8),4,6,10,12(17),13,15,19,21(26),22,24-dodecaene
CID 10694042
(2,8-dimethoxy-3,4-dihydro-1H-naphthalen-2-yl)methanamine
CID 105477816
ethane;4,5,9,10-tetrahydropyrene
CID 157285426
3-methoxy-9,10-dihydrophenanthrene-4,5-diol
CID 11499706
tert-butyl-[(7-methoxy-2,3-dihydroinden-1-ylidene)amino]-oxidosulfanium
CID 174157420
ethyl (2Z)-2-(6-methoxy-1,2-dihydro-3-benzoxepin-5-ylidene)acetate
CID 11076245
(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine;hydrochloride
CID 19888691
8-methoxyspiro[3,4-dihydronaphthalene-1,1'-cyclopropane]-2-one
CID 115010910

Frequently Asked Questions

What is the IUPAC name of (8-methoxy-1-methyl-3,4-dihydronaphthalen-2-yl)methanamine?
The IUPAC name of (8-methoxy-1-methyl-3,4-dihydronaphthalen-2-yl)methanamine (CID 115057448) is (8-methoxy-1-methyl-3,4-dihydronaphthalen-2-yl)methanamine.
What is the SMILES notation for (8-methoxy-1-methyl-3,4-dihydronaphthalen-2-yl)methanamine?
The canonical SMILES for (8-methoxy-1-methyl-3,4-dihydronaphthalen-2-yl)methanamine is COc1cccc2c1C(C)=C(CN)CC2.
What is the InChIKey of (8-methoxy-1-methyl-3,4-dihydronaphthalen-2-yl)methanamine?
The InChIKey is KBCKZIFNCWAHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-9-11(8-14)7-6-10-4-3-5-12(15-2)13(9)10/h3-5H,6-8,14H2,1-2H3.
What are the key properties of (8-methoxy-1-methyl-3,4-dihydronaphthalen-2-yl)methanamine?
(8-methoxy-1-methyl-3,4-dihydronaphthalen-2-yl)methanamine has a molecular weight of 203.28 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methoxy-1-methyl-3,4-dihydronaphthalen-2-yl)methanamine is sourced from PubChem (CID 115057448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).