2-methyl-4-(2-phenylpropyl)-3,5-dihydro-2H-1,4-benzoxazepine

C19H23NO — CID 45202916

IUPAC2-methyl-4-(2-phenylpropyl)-3,5-dihydro-2H-1,4-benzoxazepine
SMILESCC1CN(CC(C)c2ccccc2)Cc2ccccc2O1
InChIInChI=1S/C19H23NO/c1-15(17-8-4-3-5-9-17)12-20-13-16(2)21-19-11-7-6-10-18(19)14-20/h3-11,15-16H,12-14H2,1-2H3
InChIKeyOCQBWRNBWRFFLA-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.07
Rot. Bonds3

About 2-methyl-4-(2-phenylpropyl)-3,5-dihydro-2H-1,4-benzoxazepine

2-methyl-4-(2-phenylpropyl)-3,5-dihydro-2H-1,4-benzoxazepine (PubChem CID 45202916) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-methyl-4-(2-phenylpropyl)-3,5-dihydro-2H-1,4-benzoxazepine.

Molecular Properties

Compound Name2-methyl-4-(2-phenylpropyl)-3,5-dihydro-2H-1,4-benzoxazepine
PubChem CID45202916
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name2-methyl-4-(2-phenylpropyl)-3,5-dihydro-2H-1,4-benzoxazepine
SMILESCC1CN(CC(C)c2ccccc2)Cc2ccccc2O1
InChIInChI=1S/C19H23NO/c1-15(17-8-4-3-5-9-17)12-20-13-16(2)21-19-11-7-6-10-18(19)14-20/h3-11,15-16H,12-14H2,1-2H3
InChIKeyOCQBWRNBWRFFLA-UHFFFAOYSA-N
XLogP4.07
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethanamine
CID 118758965
(2S)-4-(cyclopropylmethyl)-2-methyl-3,5-dihydro-2H-1,4-benzoxazepine
CID 42500743
1-(2-phenylpropyl)azetidin-3-ol
CID 121200321
(2R)-4-[(3-fluorophenyl)methyl]-2-methyl-3,5-dihydro-2H-1,4-benzoxazepine
CID 42438630
2-methyl-4-[(5-methyl-1H-imidazol-2-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine
CID 126464538
3-[(2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methyl]phenol
CID 45213701
1-[(2R)-2-phenylpropyl]piperidine-3,4,5-triol
CID 157039301
1-[(2S)-2-phenylpropyl]piperidine-3,4,5-triol
CID 157039058
3-methyl-1-(2-phenylpropyl)piperazine
CID 65416584
4-benzylsulfonyl-2-methyl-3,5-dihydro-2H-1,4-benzoxazepine
CID 110870723
4-[(2S)-2-phenylpropyl]morpholine
CID 757569
2-(2-phenylpropyl)-1,3-dihydroisoindol-4-amine
CID 104592131

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-phenylpropyl)-3,5-dihydro-2H-1,4-benzoxazepine?
The IUPAC name of 2-methyl-4-(2-phenylpropyl)-3,5-dihydro-2H-1,4-benzoxazepine (CID 45202916) is 2-methyl-4-(2-phenylpropyl)-3,5-dihydro-2H-1,4-benzoxazepine.
What is the SMILES notation for 2-methyl-4-(2-phenylpropyl)-3,5-dihydro-2H-1,4-benzoxazepine?
The canonical SMILES for 2-methyl-4-(2-phenylpropyl)-3,5-dihydro-2H-1,4-benzoxazepine is CC1CN(CC(C)c2ccccc2)Cc2ccccc2O1.
What is the InChIKey of 2-methyl-4-(2-phenylpropyl)-3,5-dihydro-2H-1,4-benzoxazepine?
The InChIKey is OCQBWRNBWRFFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-15(17-8-4-3-5-9-17)12-20-13-16(2)21-19-11-7-6-10-18(19)14-20/h3-11,15-16H,12-14H2,1-2H3.
What are the key properties of 2-methyl-4-(2-phenylpropyl)-3,5-dihydro-2H-1,4-benzoxazepine?
2-methyl-4-(2-phenylpropyl)-3,5-dihydro-2H-1,4-benzoxazepine has a molecular weight of 281.40 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-phenylpropyl)-3,5-dihydro-2H-1,4-benzoxazepine is sourced from PubChem (CID 45202916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).