3,4-bis(ethenyl)-N-(naphthalen-2-ylmethyl)aniline

C21H19N — CID 144588782

IUPAC3,4-bis(ethenyl)-N-(naphthalen-2-ylmethyl)aniline
SMILESC=Cc1ccc(NCc2ccc3ccccc3c2)cc1C=C
InChIInChI=1S/C21H19N/c1-3-17-11-12-21(14-18(17)4-2)22-15-16-9-10-19-7-5-6-8-20(19)13-16/h3-14,22H,1-2,15H2
InChIKeyJMLCFQIYIWICBY-UHFFFAOYSA-N
MW285.39 g/mol
LogP5.74
Rot. Bonds5

About 3,4-bis(ethenyl)-N-(naphthalen-2-ylmethyl)aniline

3,4-bis(ethenyl)-N-(naphthalen-2-ylmethyl)aniline (PubChem CID 144588782) has the molecular formula C21H19N and a molecular weight of 285.39 g/mol. Its IUPAC name is 3,4-bis(ethenyl)-N-(naphthalen-2-ylmethyl)aniline.

Molecular Properties

Compound Name3,4-bis(ethenyl)-N-(naphthalen-2-ylmethyl)aniline
PubChem CID144588782
Molecular FormulaC21H19N
Molecular Weight285.39 g/mol
Exact Mass285.15
IUPAC Name3,4-bis(ethenyl)-N-(naphthalen-2-ylmethyl)aniline
SMILESC=Cc1ccc(NCc2ccc3ccccc3c2)cc1C=C
InChIInChI=1S/C21H19N/c1-3-17-11-12-21(14-18(17)4-2)22-15-16-9-10-19-7-5-6-8-20(19)13-16/h3-14,22H,1-2,15H2
InChIKeyJMLCFQIYIWICBY-UHFFFAOYSA-N
XLogP5.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.39
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-N-(naphthalen-2-ylmethyl)aniline
CID 28555096
3-(naphthalen-2-ylmethylamino)benzaldehyde
CID 142658488
3-bromo-4-fluoro-N-(naphthalen-2-ylmethyl)aniline
CID 104775821
4-bromo-3-fluoro-N-(naphthalen-2-ylmethyl)aniline
CID 65437656
N-(naphthalen-2-ylmethyl)-1H-indazol-5-amine
CID 762796
N-[(4-chlorophenyl)methyl]naphthalen-2-amine
CID 13418586
4-[(naphthalen-2-ylamino)methyl]phenol
CID 13418576
N-(naphthalen-2-ylmethyl)-1H-pyrrol-3-amine
CID 141147777
3-[(naphthalen-2-ylamino)methyl]phenol
CID 43680286
N-[[3-(aminomethyl)phenyl]methyl]naphthalen-2-amine
CID 115212943
N-[(3-bromo-4-fluorophenyl)methyl]naphthalen-2-amine
CID 43533079
2-[4-(naphthalen-2-ylmethylamino)phenyl]acetamide
CID 174611975

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(ethenyl)-N-(naphthalen-2-ylmethyl)aniline?
The IUPAC name of 3,4-bis(ethenyl)-N-(naphthalen-2-ylmethyl)aniline (CID 144588782) is 3,4-bis(ethenyl)-N-(naphthalen-2-ylmethyl)aniline.
What is the SMILES notation for 3,4-bis(ethenyl)-N-(naphthalen-2-ylmethyl)aniline?
The canonical SMILES for 3,4-bis(ethenyl)-N-(naphthalen-2-ylmethyl)aniline is C=Cc1ccc(NCc2ccc3ccccc3c2)cc1C=C.
What is the InChIKey of 3,4-bis(ethenyl)-N-(naphthalen-2-ylmethyl)aniline?
The InChIKey is JMLCFQIYIWICBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N/c1-3-17-11-12-21(14-18(17)4-2)22-15-16-9-10-19-7-5-6-8-20(19)13-16/h3-14,22H,1-2,15H2.
What are the key properties of 3,4-bis(ethenyl)-N-(naphthalen-2-ylmethyl)aniline?
3,4-bis(ethenyl)-N-(naphthalen-2-ylmethyl)aniline has a molecular weight of 285.39 g/mol, XLogP of 5.74, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(ethenyl)-N-(naphthalen-2-ylmethyl)aniline is sourced from PubChem (CID 144588782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).