(3E)-3-(2-chlorobenzo[c][1]benzazepin-11-ylidene)-N,N-dimethylpropan-1-amine

C19H19ClN2 — CID 6441602

IUPAC(3E)-3-(2-chlorobenzo[c][1]benzazepin-11-ylidene)-N,N-dimethylpropan-1-amine
SMILESCN(C)CC/C=C1\c2ccccc2C=Nc2ccc(Cl)cc21
InChIInChI=1S/C19H19ClN2/c1-22(2)11-5-8-17-16-7-4-3-6-14(16)13-21-19-10-9-15(20)12-18(17)19/h3-4,6-10,12-13H,5,11H2,1-2H3/b17-8+
InChIKeyKGRYJYZBJQLPFW-CAOOACKPSA-N
MW310.83 g/mol
LogP4.79
Rot. Bonds3

About (3E)-3-(2-chlorobenzo[c][1]benzazepin-11-ylidene)-N,N-dimethylpropan-1-amine

(3E)-3-(2-chlorobenzo[c][1]benzazepin-11-ylidene)-N,N-dimethylpropan-1-amine (PubChem CID 6441602) has the molecular formula C19H19ClN2 and a molecular weight of 310.83 g/mol. Its IUPAC name is (3E)-3-(2-chlorobenzo[c][1]benzazepin-11-ylidene)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name(3E)-3-(2-chlorobenzo[c][1]benzazepin-11-ylidene)-N,N-dimethylpropan-1-amine
PubChem CID6441602
Molecular FormulaC19H19ClN2
Molecular Weight310.83 g/mol
Exact Mass310.12
IUPAC Name(3E)-3-(2-chlorobenzo[c][1]benzazepin-11-ylidene)-N,N-dimethylpropan-1-amine
SMILESCN(C)CC/C=C1\c2ccccc2C=Nc2ccc(Cl)cc21
InChIInChI=1S/C19H19ClN2/c1-22(2)11-5-8-17-16-7-4-3-6-14(16)13-21-19-10-9-15(20)12-18(17)19/h3-4,6-10,12-13H,5,11H2,1-2H3/b17-8+
InChIKeyKGRYJYZBJQLPFW-CAOOACKPSA-N
XLogP4.79
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3E)-3-(2-chloro-10-oxothioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine
CID 6441320
(3Z)-3-(2-chloro-10,10-dimethylanthracen-9-ylidene)-N,N-dimethylpropan-1-amine
CID 6068334
bis(N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)propan-1-amine);hydrochloride
CID 69259794
(3E)-3-(6-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene)-N,N-dimethylpropan-1-amine
CID 90474628
3-(8-chloro-6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethylpropan-1-amine
CID 151240600
(9E)-7-chloro-9-[3-(dimethylamino)propylidene]thioxanthen-2-ol
CID 826540
2-[3-(dimethylamino)propylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-5-ol
CID 57376953
3-(2-chlorothioxanthen-9-ylidene)-N,N-bis(trideuteriomethyl)propan-1-amine;hydrochloride
CID 131707614
(3Z)-3-(5-methoxy-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenylidene)-N,N-dimethylpropan-1-amine
CID 143806381
(3Z)-3-(2-chloro-6-fluorothioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine chloride
CID 53351519
(3E)-N,N-dimethyl-3-(5-methylsulfonyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenylidene)propan-1-amine
CID 6434977
N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine chloride
CID 18415560

Frequently Asked Questions

What is the IUPAC name of (3E)-3-(2-chlorobenzo[c][1]benzazepin-11-ylidene)-N,N-dimethylpropan-1-amine?
The IUPAC name of (3E)-3-(2-chlorobenzo[c][1]benzazepin-11-ylidene)-N,N-dimethylpropan-1-amine (CID 6441602) is (3E)-3-(2-chlorobenzo[c][1]benzazepin-11-ylidene)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for (3E)-3-(2-chlorobenzo[c][1]benzazepin-11-ylidene)-N,N-dimethylpropan-1-amine?
The canonical SMILES for (3E)-3-(2-chlorobenzo[c][1]benzazepin-11-ylidene)-N,N-dimethylpropan-1-amine is CN(C)CC/C=C1\c2ccccc2C=Nc2ccc(Cl)cc21.
What is the InChIKey of (3E)-3-(2-chlorobenzo[c][1]benzazepin-11-ylidene)-N,N-dimethylpropan-1-amine?
The InChIKey is KGRYJYZBJQLPFW-CAOOACKPSA-N. The full InChI is InChI=1S/C19H19ClN2/c1-22(2)11-5-8-17-16-7-4-3-6-14(16)13-21-19-10-9-15(20)12-18(17)19/h3-4,6-10,12-13H,5,11H2,1-2H3/b17-8+.
What are the key properties of (3E)-3-(2-chlorobenzo[c][1]benzazepin-11-ylidene)-N,N-dimethylpropan-1-amine?
(3E)-3-(2-chlorobenzo[c][1]benzazepin-11-ylidene)-N,N-dimethylpropan-1-amine has a molecular weight of 310.83 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(2-chlorobenzo[c][1]benzazepin-11-ylidene)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 6441602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).