8-methoxy-7-propan-2-yl-2,3,4,5-tetrahydro-1H-2-benzazepine;hydrochloride

C14H22ClNO — CID 82158690

IUPAC8-methoxy-7-propan-2-yl-2,3,4,5-tetrahydro-1H-2-benzazepine;hydrochloride
SMILESCOc1cc2c(cc1C(C)C)CCCNC2.Cl
InChIInChI=1S/C14H21NO.ClH/c1-10(2)13-7-11-5-4-6-15-9-12(11)8-14(13)16-3;/h7-8,10,15H,4-6,9H2,1-3H3;1H
InChIKeyCQSTZCJFABCNOK-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.28
Rot. Bonds2

About 8-methoxy-7-propan-2-yl-2,3,4,5-tetrahydro-1H-2-benzazepine;hydrochloride

8-methoxy-7-propan-2-yl-2,3,4,5-tetrahydro-1H-2-benzazepine;hydrochloride (PubChem CID 82158690) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is 8-methoxy-7-propan-2-yl-2,3,4,5-tetrahydro-1H-2-benzazepine;hydrochloride.

Molecular Properties

Compound Name8-methoxy-7-propan-2-yl-2,3,4,5-tetrahydro-1H-2-benzazepine;hydrochloride
PubChem CID82158690
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name8-methoxy-7-propan-2-yl-2,3,4,5-tetrahydro-1H-2-benzazepine;hydrochloride
SMILESCOc1cc2c(cc1C(C)C)CCCNC2.Cl
InChIInChI=1S/C14H21NO.ClH/c1-10(2)13-7-11-5-4-6-15-9-12(11)8-14(13)16-3;/h7-8,10,15H,4-6,9H2,1-3H3;1H
InChIKeyCQSTZCJFABCNOK-UHFFFAOYSA-N
XLogP3.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-bromo-6-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 82279765
ethane;6-methoxy-7-methyl-1,2,3,4-tetrahydroisoquinoline
CID 166464794
7,8,9-trimethoxy-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 609958
8-fluoro-7-(1,1,1-trifluoropropan-2-yloxy)-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 167440541
6-methoxy-7-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one
CID 121429782
2-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)propan-1-amine
CID 117339337
6-cyclopropyl-7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline
CID 168889770
3,6,7,8,9,10-hexahydro-2H-[1,4]dioxino[2,3-h][2]benzazepine;hydrochloride
CID 75366040
1-(7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)-N-methylmethanamine
CID 83957041
(2R)-2-amino-2-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
CID 66514299
6,7-dimethoxy-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 83820244
8-ethoxy-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 75366031

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-7-propan-2-yl-2,3,4,5-tetrahydro-1H-2-benzazepine;hydrochloride?
The IUPAC name of 8-methoxy-7-propan-2-yl-2,3,4,5-tetrahydro-1H-2-benzazepine;hydrochloride (CID 82158690) is 8-methoxy-7-propan-2-yl-2,3,4,5-tetrahydro-1H-2-benzazepine;hydrochloride.
What is the SMILES notation for 8-methoxy-7-propan-2-yl-2,3,4,5-tetrahydro-1H-2-benzazepine;hydrochloride?
The canonical SMILES for 8-methoxy-7-propan-2-yl-2,3,4,5-tetrahydro-1H-2-benzazepine;hydrochloride is COc1cc2c(cc1C(C)C)CCCNC2.Cl.
What is the InChIKey of 8-methoxy-7-propan-2-yl-2,3,4,5-tetrahydro-1H-2-benzazepine;hydrochloride?
The InChIKey is CQSTZCJFABCNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO.ClH/c1-10(2)13-7-11-5-4-6-15-9-12(11)8-14(13)16-3;/h7-8,10,15H,4-6,9H2,1-3H3;1H.
What are the key properties of 8-methoxy-7-propan-2-yl-2,3,4,5-tetrahydro-1H-2-benzazepine;hydrochloride?
8-methoxy-7-propan-2-yl-2,3,4,5-tetrahydro-1H-2-benzazepine;hydrochloride has a molecular weight of 255.79 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-7-propan-2-yl-2,3,4,5-tetrahydro-1H-2-benzazepine;hydrochloride is sourced from PubChem (CID 82158690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).