8-chloro-7-methoxy-N,1,5-trimethyl-3,4-dihydro-2H-1-benzazepin-5-amine

C14H21ClN2O — CID 82625398

IUPAC8-chloro-7-methoxy-N,1,5-trimethyl-3,4-dihydro-2H-1-benzazepin-5-amine
SMILESCNC1(C)CCCN(C)c2cc(Cl)c(OC)cc21
InChIInChI=1S/C14H21ClN2O/c1-14(16-2)6-5-7-17(3)12-9-11(15)13(18-4)8-10(12)14/h8-9,16H,5-7H2,1-4H3
InChIKeyCBYKPUWBRBGNIY-UHFFFAOYSA-N
MW268.79 g/mol
LogP3.01
Rot. Bonds2

About 8-chloro-7-methoxy-N,1,5-trimethyl-3,4-dihydro-2H-1-benzazepin-5-amine

8-chloro-7-methoxy-N,1,5-trimethyl-3,4-dihydro-2H-1-benzazepin-5-amine (PubChem CID 82625398) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 8-chloro-7-methoxy-N,1,5-trimethyl-3,4-dihydro-2H-1-benzazepin-5-amine.

Molecular Properties

Compound Name8-chloro-7-methoxy-N,1,5-trimethyl-3,4-dihydro-2H-1-benzazepin-5-amine
PubChem CID82625398
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name8-chloro-7-methoxy-N,1,5-trimethyl-3,4-dihydro-2H-1-benzazepin-5-amine
SMILESCNC1(C)CCCN(C)c2cc(Cl)c(OC)cc21
InChIInChI=1S/C14H21ClN2O/c1-14(16-2)6-5-7-17(3)12-9-11(15)13(18-4)8-10(12)14/h8-9,16H,5-7H2,1-4H3
InChIKeyCBYKPUWBRBGNIY-UHFFFAOYSA-N
XLogP3.01
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

8-chloro-7-methoxy-1-methyl-2,3,4,5-tetrahydro-1-benzazepine-5-carboxylic acid
CID 82625518
1-(4-chloro-5-methoxy-2-methylphenyl)cyclopentan-1-amine
CID 84800208
1-(3-chloro-4-methoxyphenyl)-N-methylcyclohexan-1-amine
CID 82298649
2-(1-aminocyclohexyl)-5-chloro-4-methoxyphenol
CID 117392379
[1-(4-chloro-2,5-dimethoxyphenyl)cyclohexyl]methanamine
CID 117456502
2-(1-aminocyclopropyl)-5-chloro-4-methoxyphenol
CID 84783043
8-(2,4-dichloro-5-methoxyphenyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 68555817
1-(4-chloro-2,5-dimethoxyphenyl)-N-methylazetidin-3-amine
CID 117002959
5-chloro-6-methoxy-2-methyl-1,3-dihydroisoindole
CID 59274116
2-[1-(aminomethyl)cyclopentyl]-5-chloro-4-methoxyphenol
CID 117392957
1-(2-methoxy-4-methylphenyl)-N,4-dimethylpiperidin-4-amine
CID 166899283
(5S)-N-(3-chloro-4-methoxyphenyl)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
CID 95215237

Frequently Asked Questions

What is the IUPAC name of 8-chloro-7-methoxy-N,1,5-trimethyl-3,4-dihydro-2H-1-benzazepin-5-amine?
The IUPAC name of 8-chloro-7-methoxy-N,1,5-trimethyl-3,4-dihydro-2H-1-benzazepin-5-amine (CID 82625398) is 8-chloro-7-methoxy-N,1,5-trimethyl-3,4-dihydro-2H-1-benzazepin-5-amine.
What is the SMILES notation for 8-chloro-7-methoxy-N,1,5-trimethyl-3,4-dihydro-2H-1-benzazepin-5-amine?
The canonical SMILES for 8-chloro-7-methoxy-N,1,5-trimethyl-3,4-dihydro-2H-1-benzazepin-5-amine is CNC1(C)CCCN(C)c2cc(Cl)c(OC)cc21.
What is the InChIKey of 8-chloro-7-methoxy-N,1,5-trimethyl-3,4-dihydro-2H-1-benzazepin-5-amine?
The InChIKey is CBYKPUWBRBGNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-14(16-2)6-5-7-17(3)12-9-11(15)13(18-4)8-10(12)14/h8-9,16H,5-7H2,1-4H3.
What are the key properties of 8-chloro-7-methoxy-N,1,5-trimethyl-3,4-dihydro-2H-1-benzazepin-5-amine?
8-chloro-7-methoxy-N,1,5-trimethyl-3,4-dihydro-2H-1-benzazepin-5-amine has a molecular weight of 268.79 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-7-methoxy-N,1,5-trimethyl-3,4-dihydro-2H-1-benzazepin-5-amine is sourced from PubChem (CID 82625398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).