8-methoxy-1,2,3,4-tetrahydrophenanthren-3-amine

C15H17NO — CID 57021351

IUPAC8-methoxy-1,2,3,4-tetrahydrophenanthren-3-amine
SMILESCOc1cccc2c3c(ccc12)CCC(N)C3
InChIInChI=1S/C15H17NO/c1-17-15-4-2-3-12-13(15)8-6-10-5-7-11(16)9-14(10)12/h2-4,6,8,11H,5,7,9,16H2,1H3
InChIKeyYSLXBRPKUDKASH-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.66
Rot. Bonds1

About 8-methoxy-1,2,3,4-tetrahydrophenanthren-3-amine

8-methoxy-1,2,3,4-tetrahydrophenanthren-3-amine (PubChem CID 57021351) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 8-methoxy-1,2,3,4-tetrahydrophenanthren-3-amine.

Molecular Properties

Compound Name8-methoxy-1,2,3,4-tetrahydrophenanthren-3-amine
PubChem CID57021351
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name8-methoxy-1,2,3,4-tetrahydrophenanthren-3-amine
SMILESCOc1cccc2c3c(ccc12)CCC(N)C3
InChIInChI=1S/C15H17NO/c1-17-15-4-2-3-12-13(15)8-6-10-5-7-11(16)9-14(10)12/h2-4,6,8,11H,5,7,9,16H2,1H3
InChIKeyYSLXBRPKUDKASH-UHFFFAOYSA-N
XLogP2.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(6S)-1-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine
CID 142640343
8-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 130000646
(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine;hydrochloride
CID 19888691
6-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 166257815
(2S)-8-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalene
CID 67639312
(2S)-8-iodo-1,2,3,4-tetrahydronaphthalen-2-amine
CID 131030686
N-(cyclopropylmethyl)-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 18331788
1-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-methylmethanamine
CID 112547016
(2R)-8-(2-pyrrolidin-1-ylethoxy)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 25059790
(7-amino-1-benzoyloxy-5,6,7,8-tetrahydronaphthalen-2-yl) benzoate
CID 57339690
(2S)-6-fluoro-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 55268325
5-methoxy-3,4-dihydro-2H-thiochromen-3-amine;hydrochloride
CID 53408302

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-1,2,3,4-tetrahydrophenanthren-3-amine?
The IUPAC name of 8-methoxy-1,2,3,4-tetrahydrophenanthren-3-amine (CID 57021351) is 8-methoxy-1,2,3,4-tetrahydrophenanthren-3-amine.
What is the SMILES notation for 8-methoxy-1,2,3,4-tetrahydrophenanthren-3-amine?
The canonical SMILES for 8-methoxy-1,2,3,4-tetrahydrophenanthren-3-amine is COc1cccc2c3c(ccc12)CCC(N)C3.
What is the InChIKey of 8-methoxy-1,2,3,4-tetrahydrophenanthren-3-amine?
The InChIKey is YSLXBRPKUDKASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-17-15-4-2-3-12-13(15)8-6-10-5-7-11(16)9-14(10)12/h2-4,6,8,11H,5,7,9,16H2,1H3.
What are the key properties of 8-methoxy-1,2,3,4-tetrahydrophenanthren-3-amine?
8-methoxy-1,2,3,4-tetrahydrophenanthren-3-amine has a molecular weight of 227.31 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-1,2,3,4-tetrahydrophenanthren-3-amine is sourced from PubChem (CID 57021351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).