7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3-methoxyphenyl)methanamine

C16H17NO — CID 64984334

IUPAC7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3-methoxyphenyl)methanamine
SMILESCOc1cccc(C(N)C2Cc3ccccc32)c1
InChIInChI=1S/C16H17NO/c1-18-13-7-4-6-12(9-13)16(17)15-10-11-5-2-3-8-14(11)15/h2-9,15-16H,10,17H2,1H3
InChIKeyDCHJGAFPGRUFDP-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.03
Rot. Bonds3

About 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3-methoxyphenyl)methanamine

7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3-methoxyphenyl)methanamine (PubChem CID 64984334) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3-methoxyphenyl)methanamine.

Molecular Properties

Compound Name7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3-methoxyphenyl)methanamine
PubChem CID64984334
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3-methoxyphenyl)methanamine
SMILESCOc1cccc(C(N)C2Cc3ccccc32)c1
InChIInChI=1S/C16H17NO/c1-18-13-7-4-6-12(9-13)16(17)15-10-11-5-2-3-8-14(11)15/h2-9,15-16H,10,17H2,1H3
InChIKeyDCHJGAFPGRUFDP-UHFFFAOYSA-N
XLogP3.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dihydro-1H-inden-1-yl-(3-methoxyphenyl)methanamine
CID 65412498
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(3-methoxyphenyl)ethanamine
CID 64984484
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(4-propoxyphenyl)methanamine
CID 64984292
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(5-fluoro-2-methoxyphenyl)methanamine
CID 66394751
7-[bromo-(2,4-dimethoxyphenyl)methyl]bicyclo[4.2.0]octa-1,3,5-triene
CID 66396942
7-bicyclo[4.2.0]octa-1,3,5-trienyl(quinolin-6-yl)methanamine
CID 81228640
methane;(1R)-1-(3-methoxyphenyl)ethanamine
CID 160746722
1-(3-methoxyphenyl)ethanamine;hydrochloride
CID 19864848
(3-methoxyphenyl)-(thiolan-2-yl)methanamine
CID 80622358
2-amino-2-(3-methoxyphenyl)acetonitrile
CID 13352448
2-(3-methoxyphenyl)-1-phenylpropan-1-amine
CID 57276567
(2-fluorophenyl)-(3-methoxyphenyl)methanamine
CID 62501632

Frequently Asked Questions

What is the IUPAC name of 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3-methoxyphenyl)methanamine?
The IUPAC name of 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3-methoxyphenyl)methanamine (CID 64984334) is 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3-methoxyphenyl)methanamine.
What is the SMILES notation for 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3-methoxyphenyl)methanamine?
The canonical SMILES for 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3-methoxyphenyl)methanamine is COc1cccc(C(N)C2Cc3ccccc32)c1.
What is the InChIKey of 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3-methoxyphenyl)methanamine?
The InChIKey is DCHJGAFPGRUFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-18-13-7-4-6-12(9-13)16(17)15-10-11-5-2-3-8-14(11)15/h2-9,15-16H,10,17H2,1H3.
What are the key properties of 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3-methoxyphenyl)methanamine?
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3-methoxyphenyl)methanamine has a molecular weight of 239.32 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3-methoxyphenyl)methanamine is sourced from PubChem (CID 64984334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).