(5R)-7-chloro-3-hydroxy-5-methyl-1,2,4,5-tetrahydro-3-benzazepine

C11H14ClNO — CID 129011985

IUPAC(5R)-7-chloro-3-hydroxy-5-methyl-1,2,4,5-tetrahydro-3-benzazepine
SMILESC[C@H]1CN(O)CCc2ccc(Cl)cc21
InChIInChI=1S/C11H14ClNO/c1-8-7-13(14)5-4-9-2-3-10(12)6-11(8)9/h2-3,6,8,14H,4-5,7H2,1H3/t8-/m0/s1
InChIKeyOBKJFJJRKLOMQV-QMMMGPOBSA-N
MW211.69 g/mol
LogP2.69
Rot. Bonds

About (5R)-7-chloro-3-hydroxy-5-methyl-1,2,4,5-tetrahydro-3-benzazepine

(5R)-7-chloro-3-hydroxy-5-methyl-1,2,4,5-tetrahydro-3-benzazepine (PubChem CID 129011985) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is (5R)-7-chloro-3-hydroxy-5-methyl-1,2,4,5-tetrahydro-3-benzazepine.

Molecular Properties

Compound Name(5R)-7-chloro-3-hydroxy-5-methyl-1,2,4,5-tetrahydro-3-benzazepine
PubChem CID129011985
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name(5R)-7-chloro-3-hydroxy-5-methyl-1,2,4,5-tetrahydro-3-benzazepine
SMILESC[C@H]1CN(O)CCc2ccc(Cl)cc21
InChIInChI=1S/C11H14ClNO/c1-8-7-13(14)5-4-9-2-3-10(12)6-11(8)9/h2-3,6,8,14H,4-5,7H2,1H3/t8-/m0/s1
InChIKeyOBKJFJJRKLOMQV-QMMMGPOBSA-N
XLogP2.69
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 11658860
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CID 11673085
Skf 86466
CID 123981
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CID 10220250
2-Chloro-11-methyl-11-azatricyclo[7.4.1.05,14]tetradeca-1,3,5(14)-triene
CID 125570
8-Chloro-7-fluoro-1-methyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine
CID 9990808
8-chloro-2,3,4,5-tetrahydro-1-methyl-1H-3-benzazepine
CID 10465263
7-chloro-6-fluoro-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 11264345
9-chloro-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 11333043
4-Chloro-11-methyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(14),2,4-triene
CID 14822711
7-Chloro-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 17954204
7-Chloro-1-methyl-2,3,4,5-tetrahydro-1h-3-benzazepine
CID 22292784

Frequently Asked Questions

What is the IUPAC name of (5R)-7-chloro-3-hydroxy-5-methyl-1,2,4,5-tetrahydro-3-benzazepine?
The IUPAC name of (5R)-7-chloro-3-hydroxy-5-methyl-1,2,4,5-tetrahydro-3-benzazepine (CID 129011985) is (5R)-7-chloro-3-hydroxy-5-methyl-1,2,4,5-tetrahydro-3-benzazepine.
What is the SMILES notation for (5R)-7-chloro-3-hydroxy-5-methyl-1,2,4,5-tetrahydro-3-benzazepine?
The canonical SMILES for (5R)-7-chloro-3-hydroxy-5-methyl-1,2,4,5-tetrahydro-3-benzazepine is C[C@H]1CN(O)CCc2ccc(Cl)cc21.
What is the InChIKey of (5R)-7-chloro-3-hydroxy-5-methyl-1,2,4,5-tetrahydro-3-benzazepine?
The InChIKey is OBKJFJJRKLOMQV-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-8-7-13(14)5-4-9-2-3-10(12)6-11(8)9/h2-3,6,8,14H,4-5,7H2,1H3/t8-/m0/s1.
What are the key properties of (5R)-7-chloro-3-hydroxy-5-methyl-1,2,4,5-tetrahydro-3-benzazepine?
(5R)-7-chloro-3-hydroxy-5-methyl-1,2,4,5-tetrahydro-3-benzazepine has a molecular weight of 211.69 g/mol, XLogP of 2.69, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-7-chloro-3-hydroxy-5-methyl-1,2,4,5-tetrahydro-3-benzazepine is sourced from PubChem (CID 129011985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).