7-methoxy-3-(2-phenylethyl)-1,2,4,5-tetrahydro-3-benzazepine

C19H23NO — CID 23331334

IUPAC7-methoxy-3-(2-phenylethyl)-1,2,4,5-tetrahydro-3-benzazepine
SMILESCOc1ccc2c(c1)CCN(CCc1ccccc1)CC2
InChIInChI=1S/C19H23NO/c1-21-19-8-7-17-10-13-20(14-11-18(17)15-19)12-9-16-5-3-2-4-6-16/h2-8,15H,9-14H2,1H3
InChIKeyBHJQFNQZZSJCKR-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.34
Rot. Bonds4

About 7-methoxy-3-(2-phenylethyl)-1,2,4,5-tetrahydro-3-benzazepine

7-methoxy-3-(2-phenylethyl)-1,2,4,5-tetrahydro-3-benzazepine (PubChem CID 23331334) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 7-methoxy-3-(2-phenylethyl)-1,2,4,5-tetrahydro-3-benzazepine.

Molecular Properties

Compound Name7-methoxy-3-(2-phenylethyl)-1,2,4,5-tetrahydro-3-benzazepine
PubChem CID23331334
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name7-methoxy-3-(2-phenylethyl)-1,2,4,5-tetrahydro-3-benzazepine
SMILESCOc1ccc2c(c1)CCN(CCc1ccccc1)CC2
InChIInChI=1S/C19H23NO/c1-21-19-8-7-17-10-13-20(14-11-18(17)15-19)12-9-16-5-3-2-4-6-16/h2-8,15H,9-14H2,1H3
InChIKeyBHJQFNQZZSJCKR-UHFFFAOYSA-N
XLogP3.34
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-fluoro-4-phenylbutyl)-7-methoxy-1,2,4,5-tetrahydro-3-benzazepine
CID 155525754
4-[2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]morpholine
CID 110456823
7-methoxy-3-phenyl-1,2,4,5-tetrahydro-3-benzazepine
CID 57042717
1-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-phenylpropan-1-one
CID 15718698
methoxymethane;1-(2-phenylethyl)piperidin-4-one
CID 91011743
7-methoxy-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine
CID 23331357
3-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propane-1-thiol
CID 89053369
2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetic acid
CID 18759834
6-methoxy-2-pentyl-3,4-dihydro-1H-isoquinoline
CID 68537922
2-(3-chloropropyl)-6-methoxy-3,4-dihydro-1H-isoquinoline
CID 18176535
5-methoxy-2-[4-(2-phenylethyl)piperazin-1-yl]benzonitrile
CID 23111514
1-(3-methoxyphenyl)sulfonyl-4-(2-phenylethyl)piperazine
CID 71954698

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-(2-phenylethyl)-1,2,4,5-tetrahydro-3-benzazepine?
The IUPAC name of 7-methoxy-3-(2-phenylethyl)-1,2,4,5-tetrahydro-3-benzazepine (CID 23331334) is 7-methoxy-3-(2-phenylethyl)-1,2,4,5-tetrahydro-3-benzazepine.
What is the SMILES notation for 7-methoxy-3-(2-phenylethyl)-1,2,4,5-tetrahydro-3-benzazepine?
The canonical SMILES for 7-methoxy-3-(2-phenylethyl)-1,2,4,5-tetrahydro-3-benzazepine is COc1ccc2c(c1)CCN(CCc1ccccc1)CC2.
What is the InChIKey of 7-methoxy-3-(2-phenylethyl)-1,2,4,5-tetrahydro-3-benzazepine?
The InChIKey is BHJQFNQZZSJCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-21-19-8-7-17-10-13-20(14-11-18(17)15-19)12-9-16-5-3-2-4-6-16/h2-8,15H,9-14H2,1H3.
What are the key properties of 7-methoxy-3-(2-phenylethyl)-1,2,4,5-tetrahydro-3-benzazepine?
7-methoxy-3-(2-phenylethyl)-1,2,4,5-tetrahydro-3-benzazepine has a molecular weight of 281.40 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-(2-phenylethyl)-1,2,4,5-tetrahydro-3-benzazepine is sourced from PubChem (CID 23331334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).