(3-methoxy-9,10-dihydroanthracen-9-yl)methanamine;hydrobromide

C16H18BrNO — CID 25139016

IUPAC(3-methoxy-9,10-dihydroanthracen-9-yl)methanamine;hydrobromide
SMILESBr.COc1ccc2c(c1)Cc1ccccc1C2CN
InChIInChI=1S/C16H17NO.BrH/c1-18-13-6-7-15-12(9-13)8-11-4-2-3-5-14(11)16(15)10-17;/h2-7,9,16H,8,10,17H2,1H3;1H
InChIKeyAZTUFAWNYOHLIA-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.27
Rot. Bonds2

About (3-methoxy-9,10-dihydroanthracen-9-yl)methanamine;hydrobromide

(3-methoxy-9,10-dihydroanthracen-9-yl)methanamine;hydrobromide (PubChem CID 25139016) has the molecular formula C16H18BrNO and a molecular weight of 320.23 g/mol. Its IUPAC name is (3-methoxy-9,10-dihydroanthracen-9-yl)methanamine;hydrobromide.

Molecular Properties

Compound Name(3-methoxy-9,10-dihydroanthracen-9-yl)methanamine;hydrobromide
PubChem CID25139016
Molecular FormulaC16H18BrNO
Molecular Weight320.23 g/mol
Exact Mass319.06
IUPAC Name(3-methoxy-9,10-dihydroanthracen-9-yl)methanamine;hydrobromide
SMILESBr.COc1ccc2c(c1)Cc1ccccc1C2CN
InChIInChI=1S/C16H17NO.BrH/c1-18-13-6-7-15-12(9-13)8-11-4-2-3-5-14(11)16(15)10-17;/h2-7,9,16H,8,10,17H2,1H3;1H
InChIKeyAZTUFAWNYOHLIA-UHFFFAOYSA-N
XLogP3.27
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-5-methoxy-1,3-dihydroinden-2-one
CID 14640419
1-(6-methoxy-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)-N-methylpropan-2-amine
CID 83985344
5-methoxy-1-phenyl-1,3-dihydroinden-2-one
CID 14640420
(6-methoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 84620620
(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 15718592
ethyl 6-methoxytricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-2-carboxylate
CID 83985310
(1S,2R)-1-benzyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10611903
6-methoxy-1-naphthalen-1-yl-1,2,3,4-tetrahydroisoquinoline
CID 4019885
2-(6,13-dimethoxy-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)-N-ethylethanamine
CID 83985302
2-methoxy-9H-thioxanthene 10-oxide
CID 640900
6-methoxy-3,3-dimethyl-2,4-dihydro-1H-naphthalen-1-amine
CID 84620622
3-(aminomethyl)-6-methoxy-1,3-dihydroindol-2-one
CID 53407740

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-9,10-dihydroanthracen-9-yl)methanamine;hydrobromide?
The IUPAC name of (3-methoxy-9,10-dihydroanthracen-9-yl)methanamine;hydrobromide (CID 25139016) is (3-methoxy-9,10-dihydroanthracen-9-yl)methanamine;hydrobromide.
What is the SMILES notation for (3-methoxy-9,10-dihydroanthracen-9-yl)methanamine;hydrobromide?
The canonical SMILES for (3-methoxy-9,10-dihydroanthracen-9-yl)methanamine;hydrobromide is Br.COc1ccc2c(c1)Cc1ccccc1C2CN.
What is the InChIKey of (3-methoxy-9,10-dihydroanthracen-9-yl)methanamine;hydrobromide?
The InChIKey is AZTUFAWNYOHLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO.BrH/c1-18-13-6-7-15-12(9-13)8-11-4-2-3-5-14(11)16(15)10-17;/h2-7,9,16H,8,10,17H2,1H3;1H.
What are the key properties of (3-methoxy-9,10-dihydroanthracen-9-yl)methanamine;hydrobromide?
(3-methoxy-9,10-dihydroanthracen-9-yl)methanamine;hydrobromide has a molecular weight of 320.23 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-9,10-dihydroanthracen-9-yl)methanamine;hydrobromide is sourced from PubChem (CID 25139016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).