4-chloro-2-(3-ethenyl-1-phenylnaphthalen-2-yl)-N-methylaniline

C25H20ClN — CID 139257346

IUPAC4-chloro-2-(3-ethenyl-1-phenylnaphthalen-2-yl)-N-methylaniline
SMILESC=Cc1cc2ccccc2c(-c2ccccc2)c1-c1cc(Cl)ccc1NC
InChIInChI=1S/C25H20ClN/c1-3-17-15-19-11-7-8-12-21(19)25(18-9-5-4-6-10-18)24(17)22-16-20(26)13-14-23(22)27-2/h3-16,27H,1H2,2H3
InChIKeyAXMUSYHJIQMOPB-UHFFFAOYSA-N
MW369.90 g/mol
LogP7.51
Rot. Bonds4

About 4-chloro-2-(3-ethenyl-1-phenylnaphthalen-2-yl)-N-methylaniline

4-chloro-2-(3-ethenyl-1-phenylnaphthalen-2-yl)-N-methylaniline (PubChem CID 139257346) has the molecular formula C25H20ClN and a molecular weight of 369.90 g/mol. Its IUPAC name is 4-chloro-2-(3-ethenyl-1-phenylnaphthalen-2-yl)-N-methylaniline.

Molecular Properties

Compound Name4-chloro-2-(3-ethenyl-1-phenylnaphthalen-2-yl)-N-methylaniline
PubChem CID139257346
Molecular FormulaC25H20ClN
Molecular Weight369.90 g/mol
Exact Mass369.13
IUPAC Name4-chloro-2-(3-ethenyl-1-phenylnaphthalen-2-yl)-N-methylaniline
SMILESC=Cc1cc2ccccc2c(-c2ccccc2)c1-c1cc(Cl)ccc1NC
InChIInChI=1S/C25H20ClN/c1-3-17-15-19-11-7-8-12-21(19)25(18-9-5-4-6-10-18)24(17)22-16-20(26)13-14-23(22)27-2/h3-16,27H,1H2,2H3
InChIKeyAXMUSYHJIQMOPB-UHFFFAOYSA-N
XLogP7.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.90
LogP ≤ 57.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-N-methyl-2-(2-naphthalen-1-ylethynyl)aniline
CID 155598981
1-[2-(4-ethenylanilino)naphthalen-1-yl]-N-(4-ethenylphenyl)naphthalen-2-amine
CID 101144380
2-ethenyl-1-phenylanthracene;9-(2-ethenylphenyl)anthracene
CID 160605394
2-chloro-1,3-diphenylnaphthalene
CID 12697982
1-(4-chlorophenyl)-2,3-dimethylnaphthalene
CID 123950118
2,4-dichloro-1-ethenylbenzene;styrene
CID 67764431
3-(4-methylphenyl)-1,2-diphenylnaphthalene
CID 178068265
2-anthracen-9-yl-4-chloroaniline
CID 167281672
6-ethenyl-3-fluoro-2-phenylaniline
CID 162513364
1-chloro-2-ethenyl-3-methylnaphthalene
CID 67126076
1-(5-chloro-2-fluorophenyl)-2-methylnaphthalene
CID 146211188
2-ethenyl-1-N,4-N-dimethylbenzene-1,4-diamine
CID 169168599

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3-ethenyl-1-phenylnaphthalen-2-yl)-N-methylaniline?
The IUPAC name of 4-chloro-2-(3-ethenyl-1-phenylnaphthalen-2-yl)-N-methylaniline (CID 139257346) is 4-chloro-2-(3-ethenyl-1-phenylnaphthalen-2-yl)-N-methylaniline.
What is the SMILES notation for 4-chloro-2-(3-ethenyl-1-phenylnaphthalen-2-yl)-N-methylaniline?
The canonical SMILES for 4-chloro-2-(3-ethenyl-1-phenylnaphthalen-2-yl)-N-methylaniline is C=Cc1cc2ccccc2c(-c2ccccc2)c1-c1cc(Cl)ccc1NC.
What is the InChIKey of 4-chloro-2-(3-ethenyl-1-phenylnaphthalen-2-yl)-N-methylaniline?
The InChIKey is AXMUSYHJIQMOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN/c1-3-17-15-19-11-7-8-12-21(19)25(18-9-5-4-6-10-18)24(17)22-16-20(26)13-14-23(22)27-2/h3-16,27H,1H2,2H3.
What are the key properties of 4-chloro-2-(3-ethenyl-1-phenylnaphthalen-2-yl)-N-methylaniline?
4-chloro-2-(3-ethenyl-1-phenylnaphthalen-2-yl)-N-methylaniline has a molecular weight of 369.90 g/mol, XLogP of 7.51, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3-ethenyl-1-phenylnaphthalen-2-yl)-N-methylaniline is sourced from PubChem (CID 139257346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).