7-[(3-methoxyphenyl)methyl]-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine

C19H23NO — CID 11208299

IUPAC7-[(3-methoxyphenyl)methyl]-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine
SMILESCOc1cccc(Cc2ccc3c(c2)C(C)CNCC3)c1
InChIInChI=1S/C19H23NO/c1-14-13-20-9-8-17-7-6-16(12-19(14)17)10-15-4-3-5-18(11-15)21-2/h3-7,11-12,14,20H,8-10,13H2,1-2H3
InChIKeyDKYRNWVJAOHKQZ-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.54
Rot. Bonds3

About 7-[(3-methoxyphenyl)methyl]-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine

7-[(3-methoxyphenyl)methyl]-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine (PubChem CID 11208299) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 7-[(3-methoxyphenyl)methyl]-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine.

Molecular Properties

Compound Name7-[(3-methoxyphenyl)methyl]-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine
PubChem CID11208299
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name7-[(3-methoxyphenyl)methyl]-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine
SMILESCOc1cccc(Cc2ccc3c(c2)C(C)CNCC3)c1
InChIInChI=1S/C19H23NO/c1-14-13-20-9-8-17-7-6-16(12-19(14)17)10-15-4-3-5-18(11-15)21-2/h3-7,11-12,14,20H,8-10,13H2,1-2H3
InChIKeyDKYRNWVJAOHKQZ-UHFFFAOYSA-N
XLogP3.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-[(3-methoxyphenyl)methyl]-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine?
The IUPAC name of 7-[(3-methoxyphenyl)methyl]-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine (CID 11208299) is 7-[(3-methoxyphenyl)methyl]-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine.
What is the SMILES notation for 7-[(3-methoxyphenyl)methyl]-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine?
The canonical SMILES for 7-[(3-methoxyphenyl)methyl]-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine is COc1cccc(Cc2ccc3c(c2)C(C)CNCC3)c1.
What is the InChIKey of 7-[(3-methoxyphenyl)methyl]-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine?
The InChIKey is DKYRNWVJAOHKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-14-13-20-9-8-17-7-6-16(12-19(14)17)10-15-4-3-5-18(11-15)21-2/h3-7,11-12,14,20H,8-10,13H2,1-2H3.
What are the key properties of 7-[(3-methoxyphenyl)methyl]-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine?
7-[(3-methoxyphenyl)methyl]-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine has a molecular weight of 281.40 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-methoxyphenyl)methyl]-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine is sourced from PubChem (CID 11208299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).