7-chloro-N-[(5-methylfuran-2-yl)methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine;hydrochloride

C16H20Cl2N2O — CID 66706552

IUPAC7-chloro-N-[(5-methylfuran-2-yl)methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine;hydrochloride
SMILESCc1ccc(CNc2c(Cl)ccc3c2CCNCC3)o1.Cl
InChIInChI=1S/C16H19ClN2O.ClH/c1-11-2-4-13(20-11)10-19-16-14-7-9-18-8-6-12(14)3-5-15(16)17;/h2-5,18-19H,6-10H2,1H3;1H
InChIKeyIXJILMJLEDOQPX-UHFFFAOYSA-N
MW327.26 g/mol
LogP3.96
Rot. Bonds3

About 7-chloro-N-[(5-methylfuran-2-yl)methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine;hydrochloride

7-chloro-N-[(5-methylfuran-2-yl)methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine;hydrochloride (PubChem CID 66706552) has the molecular formula C16H20Cl2N2O and a molecular weight of 327.26 g/mol. Its IUPAC name is 7-chloro-N-[(5-methylfuran-2-yl)methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine;hydrochloride.

Molecular Properties

Compound Name7-chloro-N-[(5-methylfuran-2-yl)methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine;hydrochloride
PubChem CID66706552
Molecular FormulaC16H20Cl2N2O
Molecular Weight327.26 g/mol
Exact Mass326.10
IUPAC Name7-chloro-N-[(5-methylfuran-2-yl)methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine;hydrochloride
SMILESCc1ccc(CNc2c(Cl)ccc3c2CCNCC3)o1.Cl
InChIInChI=1S/C16H19ClN2O.ClH/c1-11-2-4-13(20-11)10-19-16-14-7-9-18-8-6-12(14)3-5-15(16)17;/h2-5,18-19H,6-10H2,1H3;1H
InChIKeyIXJILMJLEDOQPX-UHFFFAOYSA-N
XLogP3.96
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.26
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 7-chloro-N-[(5-methylfuran-2-yl)methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine;hydrochloride with MolForge

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Related Compounds

o-Acetotoluidide, 6'-chloro-2-(2-furylmethyl)amino-, hydrochloride
CID 59386
N-(2-chloro-6-methylphenyl)-2-(furan-2-ylmethylamino)acetamide
CID 59387
[2-[2-Chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium
CID 9102750
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide
CID 9102751
2-chloro-N-(furan-2-ylmethyl)-5-(trifluoromethyl)aniline
CID 28432612
2-chloro-N-[(5-methylfuran-2-yl)methyl]-5-(trifluoromethyl)aniline
CID 28535008
4-chloro-N-[(5-methylfuran-2-yl)methyl]-2-(trifluoromethyl)aniline
CID 28548305
2-chloro-N-[(5-methylfuran-2-yl)methyl]-6-(trifluoromethyl)aniline
CID 28950691
2-chloro-N-(furan-2-ylmethyl)-6-(trifluoromethyl)aniline
CID 28950697
2-chloro-N-[1-(5-methylfuran-2-yl)ethyl]-5-(trifluoromethyl)aniline
CID 43096213
2-chloro-N-[1-(5-methylfuran-2-yl)ethyl]-6-(trifluoromethyl)aniline
CID 43121826
2-chloro-N-[(5-methylfuran-2-yl)methyl]-4-(trifluoromethyl)aniline
CID 43714566

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[(5-methylfuran-2-yl)methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine;hydrochloride?
The IUPAC name of 7-chloro-N-[(5-methylfuran-2-yl)methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine;hydrochloride (CID 66706552) is 7-chloro-N-[(5-methylfuran-2-yl)methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine;hydrochloride.
What is the SMILES notation for 7-chloro-N-[(5-methylfuran-2-yl)methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine;hydrochloride?
The canonical SMILES for 7-chloro-N-[(5-methylfuran-2-yl)methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine;hydrochloride is Cc1ccc(CNc2c(Cl)ccc3c2CCNCC3)o1.Cl.
What is the InChIKey of 7-chloro-N-[(5-methylfuran-2-yl)methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine;hydrochloride?
The InChIKey is IXJILMJLEDOQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O.ClH/c1-11-2-4-13(20-11)10-19-16-14-7-9-18-8-6-12(14)3-5-15(16)17;/h2-5,18-19H,6-10H2,1H3;1H.
What are the key properties of 7-chloro-N-[(5-methylfuran-2-yl)methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine;hydrochloride?
7-chloro-N-[(5-methylfuran-2-yl)methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine;hydrochloride has a molecular weight of 327.26 g/mol, XLogP of 3.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[(5-methylfuran-2-yl)methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine;hydrochloride is sourced from PubChem (CID 66706552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).