(3-methoxynaphthalen-2-yl)methanamine

C12H13NO — CID 82504350

IUPAC(3-methoxynaphthalen-2-yl)methanamine
SMILESCOc1cc2ccccc2cc1CN
InChIInChI=1S/C12H13NO/c1-14-12-7-10-5-3-2-4-9(10)6-11(12)8-13/h2-7H,8,13H2,1H3
InChIKeyRFVNJQHMIQBFMX-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.31
Rot. Bonds2

About (3-methoxynaphthalen-2-yl)methanamine

(3-methoxynaphthalen-2-yl)methanamine (PubChem CID 82504350) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is (3-methoxynaphthalen-2-yl)methanamine.

Molecular Properties

Compound Name(3-methoxynaphthalen-2-yl)methanamine
PubChem CID82504350
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name(3-methoxynaphthalen-2-yl)methanamine
SMILESCOc1cc2ccccc2cc1CN
InChIInChI=1S/C12H13NO/c1-14-12-7-10-5-3-2-4-9(10)6-11(12)8-13/h2-7H,8,13H2,1H3
InChIKeyRFVNJQHMIQBFMX-UHFFFAOYSA-N
XLogP2.31
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-dimethoxyphenyl)methanamine;4-methoxyaniline
CID 70411207
(5-fluoro-2-methoxyphenyl)methanamine
CID 18348829
(6-methoxy-1H-indazol-5-yl)methanamine
CID 117109494
CID 90433687
CID 90433687
(4-iodo-2-methoxyphenyl)methanamine
CID 91883504
CID 89164345
CID 89164345
(5-tert-butyl-2-methoxyphenyl)methanamine
CID 82075869
(5-bromo-4-iodo-2-methoxyphenyl)methanamine
CID 171018559
[4-(fluoromethoxy)-2-methoxyphenyl]methanamine;hydrochloride
CID 142687563
(5-chloro-4-iodo-2-methoxyphenyl)methanamine
CID 86775733
[4-(difluoromethyl)-2,5-dimethoxyphenyl]methanamine
CID 84682512
3-methylperoxynaphthalen-2-ol
CID 88579478

Frequently Asked Questions

What is the IUPAC name of (3-methoxynaphthalen-2-yl)methanamine?
The IUPAC name of (3-methoxynaphthalen-2-yl)methanamine (CID 82504350) is (3-methoxynaphthalen-2-yl)methanamine.
What is the SMILES notation for (3-methoxynaphthalen-2-yl)methanamine?
The canonical SMILES for (3-methoxynaphthalen-2-yl)methanamine is COc1cc2ccccc2cc1CN.
What is the InChIKey of (3-methoxynaphthalen-2-yl)methanamine?
The InChIKey is RFVNJQHMIQBFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-14-12-7-10-5-3-2-4-9(10)6-11(12)8-13/h2-7H,8,13H2,1H3.
What are the key properties of (3-methoxynaphthalen-2-yl)methanamine?
(3-methoxynaphthalen-2-yl)methanamine has a molecular weight of 187.24 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxynaphthalen-2-yl)methanamine is sourced from PubChem (CID 82504350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).