4-(4-methoxyphenyl)-3,4,5,6-tetrahydro-1H-2,5-benzoxazocine

C17H19NO2 — CID 72734234

IUPAC4-(4-methoxyphenyl)-3,4,5,6-tetrahydro-1H-2,5-benzoxazocine
SMILESCOc1ccc(C2COCc3ccccc3CN2)cc1
InChIInChI=1S/C17H19NO2/c1-19-16-8-6-13(7-9-16)17-12-20-11-15-5-3-2-4-14(15)10-18-17/h2-9,17-18H,10-12H2,1H3
InChIKeyWEVKATYHZLJYCX-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.06
Rot. Bonds2

About 4-(4-methoxyphenyl)-3,4,5,6-tetrahydro-1H-2,5-benzoxazocine

4-(4-methoxyphenyl)-3,4,5,6-tetrahydro-1H-2,5-benzoxazocine (PubChem CID 72734234) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-3,4,5,6-tetrahydro-1H-2,5-benzoxazocine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-3,4,5,6-tetrahydro-1H-2,5-benzoxazocine
PubChem CID72734234
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name4-(4-methoxyphenyl)-3,4,5,6-tetrahydro-1H-2,5-benzoxazocine
SMILESCOc1ccc(C2COCc3ccccc3CN2)cc1
InChIInChI=1S/C17H19NO2/c1-19-16-8-6-13(7-9-16)17-12-20-11-15-5-3-2-4-14(15)10-18-17/h2-9,17-18H,10-12H2,1H3
InChIKeyWEVKATYHZLJYCX-UHFFFAOYSA-N
XLogP3.06
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methoxybenzyl)cyclohexanamine
CID 274796
N~1~,N~4~-Bis[(4-methoxyphenyl)methyl]butane-1,4-diamine
CID 44458572
4-Methoxy-alpha-methyl-N-(phenylmethyl)benzeneethanamine
CID 3016422
Bis(4-methoxybenzyl)amine
CID 714952
(4-Fluorobenzyl)[3-(4-methoxyphenyl)-1-methylpropyl]amine
CID 2846620
N-(4-methoxybenzyl)-3-phenyl-2-propen-1-amine hydrochloride
CID 6464138
4-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-2-butanamine
CID 2846243
(2S,4R,5R)-2-benzhydryl-5-(4-methoxy-benzylamino)-tetrahydropyran-4-ol
CID 11441053
(6-Benzhydryl-tetrahydro-pyran-3-yl)-(4-methoxy-benzyl)-amine
CID 44287671
Cis-(6-benzhydryl-tetrahydropyran-3-yl)-(4-methoxy-benzyl)-amine
CID 52951980
2-(2,3-dimethylphenoxy)-N-(2-methoxyethyl)-1-phenylethanamine;hydrochloride
CID 162324215
(2-Methoxybenzyl)[3-(4-methoxyphenyl)-1-methylpropyl]amine
CID 2846327

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-3,4,5,6-tetrahydro-1H-2,5-benzoxazocine?
The IUPAC name of 4-(4-methoxyphenyl)-3,4,5,6-tetrahydro-1H-2,5-benzoxazocine (CID 72734234) is 4-(4-methoxyphenyl)-3,4,5,6-tetrahydro-1H-2,5-benzoxazocine.
What is the SMILES notation for 4-(4-methoxyphenyl)-3,4,5,6-tetrahydro-1H-2,5-benzoxazocine?
The canonical SMILES for 4-(4-methoxyphenyl)-3,4,5,6-tetrahydro-1H-2,5-benzoxazocine is COc1ccc(C2COCc3ccccc3CN2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-3,4,5,6-tetrahydro-1H-2,5-benzoxazocine?
The InChIKey is WEVKATYHZLJYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-19-16-8-6-13(7-9-16)17-12-20-11-15-5-3-2-4-14(15)10-18-17/h2-9,17-18H,10-12H2,1H3.
What are the key properties of 4-(4-methoxyphenyl)-3,4,5,6-tetrahydro-1H-2,5-benzoxazocine?
4-(4-methoxyphenyl)-3,4,5,6-tetrahydro-1H-2,5-benzoxazocine has a molecular weight of 269.34 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-3,4,5,6-tetrahydro-1H-2,5-benzoxazocine is sourced from PubChem (CID 72734234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).