2-[(6-chloro-2-phenylchromen-4-ylidene)amino]-N,N-dimethylethanamine

C19H19ClN2O — CID 733532

IUPAC2-[(6-chloro-2-phenylchromen-4-ylidene)amino]-N,N-dimethylethanamine
SMILESCN(C)CC/N=c1\cc(-c2ccccc2)oc2ccc(Cl)cc12
InChIInChI=1S/C19H19ClN2O/c1-22(2)11-10-21-17-13-19(14-6-4-3-5-7-14)23-18-9-8-15(20)12-16(17)18/h3-9,12-13H,10-11H2,1-2H3/b21-17+
InChIKeyCGCPHTXCNKUKRK-HEHNFIMWSA-N
MW326.83 g/mol
LogP4.22
Rot. Bonds4

About 2-[(6-chloro-2-phenylchromen-4-ylidene)amino]-N,N-dimethylethanamine

2-[(6-chloro-2-phenylchromen-4-ylidene)amino]-N,N-dimethylethanamine (PubChem CID 733532) has the molecular formula C19H19ClN2O and a molecular weight of 326.83 g/mol. Its IUPAC name is 2-[(6-chloro-2-phenylchromen-4-ylidene)amino]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[(6-chloro-2-phenylchromen-4-ylidene)amino]-N,N-dimethylethanamine
PubChem CID733532
Molecular FormulaC19H19ClN2O
Molecular Weight326.83 g/mol
Exact Mass326.12
IUPAC Name2-[(6-chloro-2-phenylchromen-4-ylidene)amino]-N,N-dimethylethanamine
SMILESCN(C)CC/N=c1\cc(-c2ccccc2)oc2ccc(Cl)cc12
InChIInChI=1S/C19H19ClN2O/c1-22(2)11-10-21-17-13-19(14-6-4-3-5-7-14)23-18-9-8-15(20)12-16(17)18/h3-9,12-13H,10-11H2,1-2H3/b21-17+
InChIKeyCGCPHTXCNKUKRK-HEHNFIMWSA-N
XLogP4.22
TPSA28.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-2-phenylchromen-4-ylidene)amino]-N,N-dimethylethanamine?
The IUPAC name of 2-[(6-chloro-2-phenylchromen-4-ylidene)amino]-N,N-dimethylethanamine (CID 733532) is 2-[(6-chloro-2-phenylchromen-4-ylidene)amino]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[(6-chloro-2-phenylchromen-4-ylidene)amino]-N,N-dimethylethanamine?
The canonical SMILES for 2-[(6-chloro-2-phenylchromen-4-ylidene)amino]-N,N-dimethylethanamine is CN(C)CC/N=c1\cc(-c2ccccc2)oc2ccc(Cl)cc12.
What is the InChIKey of 2-[(6-chloro-2-phenylchromen-4-ylidene)amino]-N,N-dimethylethanamine?
The InChIKey is CGCPHTXCNKUKRK-HEHNFIMWSA-N. The full InChI is InChI=1S/C19H19ClN2O/c1-22(2)11-10-21-17-13-19(14-6-4-3-5-7-14)23-18-9-8-15(20)12-16(17)18/h3-9,12-13H,10-11H2,1-2H3/b21-17+.
What are the key properties of 2-[(6-chloro-2-phenylchromen-4-ylidene)amino]-N,N-dimethylethanamine?
2-[(6-chloro-2-phenylchromen-4-ylidene)amino]-N,N-dimethylethanamine has a molecular weight of 326.83 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-2-phenylchromen-4-ylidene)amino]-N,N-dimethylethanamine is sourced from PubChem (CID 733532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).