6-methoxy-4-methyl-1-(2-methylpropyl)-2,3,4,5-tetrahydro-1H-2-benzazepine

C16H25NO — CID 64687610

IUPAC6-methoxy-4-methyl-1-(2-methylpropyl)-2,3,4,5-tetrahydro-1H-2-benzazepine
SMILESCOc1cccc2c1CC(C)CNC2CC(C)C
InChIInChI=1S/C16H25NO/c1-11(2)8-15-13-6-5-7-16(18-4)14(13)9-12(3)10-17-15/h5-7,11-12,15,17H,8-10H2,1-4H3
InChIKeyKHGBPPYTEAVFTH-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.56
Rot. Bonds3

About 6-methoxy-4-methyl-1-(2-methylpropyl)-2,3,4,5-tetrahydro-1H-2-benzazepine

6-methoxy-4-methyl-1-(2-methylpropyl)-2,3,4,5-tetrahydro-1H-2-benzazepine (PubChem CID 64687610) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 6-methoxy-4-methyl-1-(2-methylpropyl)-2,3,4,5-tetrahydro-1H-2-benzazepine.

Molecular Properties

Compound Name6-methoxy-4-methyl-1-(2-methylpropyl)-2,3,4,5-tetrahydro-1H-2-benzazepine
PubChem CID64687610
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name6-methoxy-4-methyl-1-(2-methylpropyl)-2,3,4,5-tetrahydro-1H-2-benzazepine
SMILESCOc1cccc2c1CC(C)CNC2CC(C)C
InChIInChI=1S/C16H25NO/c1-11(2)8-15-13-6-5-7-16(18-4)14(13)9-12(3)10-17-15/h5-7,11-12,15,17H,8-10H2,1-4H3
InChIKeyKHGBPPYTEAVFTH-UHFFFAOYSA-N
XLogP3.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-fluoro-4-methyl-1-(2-methylpropyl)-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 114834413
5-methoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 63822286
5-methoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63820817
(5-methoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 84620615
N-ethyl-5-methoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63822452
4-methoxy-2-methyl-2,3-dihydro-1H-inden-1-ol
CID 79726670
6-fluoro-4-methyl-1-propan-2-yl-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 114834409
(2S)-8-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalene
CID 67639312
6-methoxy-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]indene
CID 90201598
1-(3-fluorophenyl)-4-methoxy-2,3-dihydro-1H-isoindole
CID 84737135
N,N-diethyl-5-methoxy-1,2,3,4-tetrahydroquinolin-3-amine
CID 105495080
(1S,4S)-7,8-dimethoxy-1,4-dimethyl-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 97007339

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-methyl-1-(2-methylpropyl)-2,3,4,5-tetrahydro-1H-2-benzazepine?
The IUPAC name of 6-methoxy-4-methyl-1-(2-methylpropyl)-2,3,4,5-tetrahydro-1H-2-benzazepine (CID 64687610) is 6-methoxy-4-methyl-1-(2-methylpropyl)-2,3,4,5-tetrahydro-1H-2-benzazepine.
What is the SMILES notation for 6-methoxy-4-methyl-1-(2-methylpropyl)-2,3,4,5-tetrahydro-1H-2-benzazepine?
The canonical SMILES for 6-methoxy-4-methyl-1-(2-methylpropyl)-2,3,4,5-tetrahydro-1H-2-benzazepine is COc1cccc2c1CC(C)CNC2CC(C)C.
What is the InChIKey of 6-methoxy-4-methyl-1-(2-methylpropyl)-2,3,4,5-tetrahydro-1H-2-benzazepine?
The InChIKey is KHGBPPYTEAVFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-11(2)8-15-13-6-5-7-16(18-4)14(13)9-12(3)10-17-15/h5-7,11-12,15,17H,8-10H2,1-4H3.
What are the key properties of 6-methoxy-4-methyl-1-(2-methylpropyl)-2,3,4,5-tetrahydro-1H-2-benzazepine?
6-methoxy-4-methyl-1-(2-methylpropyl)-2,3,4,5-tetrahydro-1H-2-benzazepine has a molecular weight of 247.38 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-methyl-1-(2-methylpropyl)-2,3,4,5-tetrahydro-1H-2-benzazepine is sourced from PubChem (CID 64687610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).