1-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)phenyl]butan-2-amine

C19H23NO — CID 66394674

IUPAC1-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)phenyl]butan-2-amine
SMILESCCC(N)Cc1ccccc1OCC1Cc2ccccc21
InChIInChI=1S/C19H23NO/c1-2-17(20)12-15-8-4-6-10-19(15)21-13-16-11-14-7-3-5-9-18(14)16/h3-10,16-17H,2,11-13,20H2,1H3
InChIKeyRSUCXQWKRFBYOF-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.69
Rot. Bonds6

About 1-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)phenyl]butan-2-amine

1-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)phenyl]butan-2-amine (PubChem CID 66394674) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)phenyl]butan-2-amine
PubChem CID66394674
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name1-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)phenyl]butan-2-amine
SMILESCCC(N)Cc1ccccc1OCC1Cc2ccccc21
InChIInChI=1S/C19H23NO/c1-2-17(20)12-15-8-4-6-10-19(15)21-13-16-11-14-7-3-5-9-18(14)16/h3-10,16-17H,2,11-13,20H2,1H3
InChIKeyRSUCXQWKRFBYOF-UHFFFAOYSA-N
XLogP3.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)phenyl]butan-2-amine
CID 66394480
1-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-5-fluorophenyl]propan-2-amine
CID 107700921
2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)phenol
CID 66417200
1-(2-phenoxyphenyl)butan-2-amine
CID 63803280
1-(2-cyclohexyloxyphenyl)butan-2-amine
CID 54930577
3-[2-(2-aminobutyl)phenoxy]propanamide
CID 60907585
1-[2-[(4-methylphenyl)methoxy]phenyl]butan-2-amine
CID 60908081
7-[(2-methyl-5-propan-2-ylphenoxy)methyl]bicyclo[4.2.0]octa-1,3,5-triene
CID 81005539
methyl 2-[2-(2-aminobutyl)phenoxy]acetate
CID 54930626
2-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-5-bromophenyl]ethanamine
CID 66397004
1-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-5-methylphenyl]-N-methylmethanamine
CID 66419666
1-[2-(2,3-dichloroprop-2-enoxy)phenyl]butan-2-amine
CID 79174196

Frequently Asked Questions

What is the IUPAC name of 1-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)phenyl]butan-2-amine?
The IUPAC name of 1-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)phenyl]butan-2-amine (CID 66394674) is 1-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)phenyl]butan-2-amine.
What is the SMILES notation for 1-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)phenyl]butan-2-amine?
The canonical SMILES for 1-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)phenyl]butan-2-amine is CCC(N)Cc1ccccc1OCC1Cc2ccccc21.
What is the InChIKey of 1-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)phenyl]butan-2-amine?
The InChIKey is RSUCXQWKRFBYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-2-17(20)12-15-8-4-6-10-19(15)21-13-16-11-14-7-3-5-9-18(14)16/h3-10,16-17H,2,11-13,20H2,1H3.
What are the key properties of 1-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)phenyl]butan-2-amine?
1-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)phenyl]butan-2-amine has a molecular weight of 281.40 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)phenyl]butan-2-amine is sourced from PubChem (CID 66394674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).