(3Z)-3-(2-chloro-10,10-dimethylanthracen-9-ylidene)-N,N-dimethylpropan-1-amine

C21H24ClN — CID 6068334

IUPAC(3Z)-3-(2-chloro-10,10-dimethylanthracen-9-ylidene)-N,N-dimethylpropan-1-amine
SMILESCN(C)CC/C=C1/c2ccccc2C(C)(C)c2ccc(Cl)cc21
InChIInChI=1S/C21H24ClN/c1-21(2)19-10-6-5-8-17(19)16(9-7-13-23(3)4)18-14-15(22)11-12-20(18)21/h5-6,8-12,14H,7,13H2,1-4H3/b16-9-
InChIKeyXOEORRKMZPENHA-SXGWCWSVSA-N
MW325.88 g/mol
LogP5.36
Rot. Bonds3

About (3Z)-3-(2-chloro-10,10-dimethylanthracen-9-ylidene)-N,N-dimethylpropan-1-amine

(3Z)-3-(2-chloro-10,10-dimethylanthracen-9-ylidene)-N,N-dimethylpropan-1-amine (PubChem CID 6068334) has the molecular formula C21H24ClN and a molecular weight of 325.88 g/mol. Its IUPAC name is (3Z)-3-(2-chloro-10,10-dimethylanthracen-9-ylidene)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name(3Z)-3-(2-chloro-10,10-dimethylanthracen-9-ylidene)-N,N-dimethylpropan-1-amine
PubChem CID6068334
Molecular FormulaC21H24ClN
Molecular Weight325.88 g/mol
Exact Mass325.16
IUPAC Name(3Z)-3-(2-chloro-10,10-dimethylanthracen-9-ylidene)-N,N-dimethylpropan-1-amine
SMILESCN(C)CC/C=C1/c2ccccc2C(C)(C)c2ccc(Cl)cc21
InChIInChI=1S/C21H24ClN/c1-21(2)19-10-6-5-8-17(19)16(9-7-13-23(3)4)18-14-15(22)11-12-20(18)21/h5-6,8-12,14H,7,13H2,1-4H3/b16-9-
InChIKeyXOEORRKMZPENHA-SXGWCWSVSA-N
XLogP5.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.88
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'styrene_B(8)', 'substructure': 'N/A'}

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Related Compounds

(3E)-3-(2-chloro-10-oxothioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine
CID 6441320
3-(10,10-dimethylanthracen-9-ylidene)-N,N-bis(trideuteriomethyl)propan-1-amine;hydrochloride
CID 172653286
(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
(3E)-3-(2-chlorobenzo[c][1]benzazepin-11-ylidene)-N,N-dimethylpropan-1-amine
CID 6441602
3-[10,10-bis(prop-2-enyl)anthracen-9-ylidene]-N,N-dimethylpropan-1-amine
CID 1203583
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
3-(2-chlorothioxanthen-9-ylidene)-N,N-bis(trideuteriomethyl)propan-1-amine;hydrochloride
CID 131707614
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
(3Z)-3-(2-chloro-6-fluorothioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine chloride
CID 53351519
N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine;methane
CID 117064953
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 (3Z)-3-(2-chloro-10,10-dimethylanthracen-9-ylidene)-N,N-dimethylpropan-1-amine?
The IUPAC name of (3Z)-3-(2-chloro-10,10-dimethylanthracen-9-ylidene)-N,N-dimethylpropan-1-amine (CID 6068334) is (3Z)-3-(2-chloro-10,10-dimethylanthracen-9-ylidene)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for (3Z)-3-(2-chloro-10,10-dimethylanthracen-9-ylidene)-N,N-dimethylpropan-1-amine?
The canonical SMILES for (3Z)-3-(2-chloro-10,10-dimethylanthracen-9-ylidene)-N,N-dimethylpropan-1-amine is CN(C)CC/C=C1/c2ccccc2C(C)(C)c2ccc(Cl)cc21.
What is the InChIKey of (3Z)-3-(2-chloro-10,10-dimethylanthracen-9-ylidene)-N,N-dimethylpropan-1-amine?
The InChIKey is XOEORRKMZPENHA-SXGWCWSVSA-N. The full InChI is InChI=1S/C21H24ClN/c1-21(2)19-10-6-5-8-17(19)16(9-7-13-23(3)4)18-14-15(22)11-12-20(18)21/h5-6,8-12,14H,7,13H2,1-4H3/b16-9-.
What are the key properties of (3Z)-3-(2-chloro-10,10-dimethylanthracen-9-ylidene)-N,N-dimethylpropan-1-amine?
(3Z)-3-(2-chloro-10,10-dimethylanthracen-9-ylidene)-N,N-dimethylpropan-1-amine has a molecular weight of 325.88 g/mol, XLogP of 5.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(2-chloro-10,10-dimethylanthracen-9-ylidene)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 6068334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).