2,3,4,5,6,7,8-heptadeuterio-N-(4-ethenylphenyl)naphthalen-1-amine

C18H15N — CID 140891959

IUPAC2,3,4,5,6,7,8-heptadeuterio-N-(4-ethenylphenyl)naphthalen-1-amine
SMILES[2H]c1c([2H])c([2H])c2c(Nc3ccc(C=C)cc3)c([2H])c([2H])c([2H])c2c1[2H]
InChIInChI=1S/C18H15N/c1-2-14-10-12-16(13-11-14)19-18-9-5-7-15-6-3-4-8-17(15)18/h2-13,19H,1H2/i3D,4D,5D,6D,7D,8D,9D
InChIKeySLRDPXGLCPGOAZ-MIBSYSDMSA-N
MW252.37 g/mol
LogP5.23
Rot. Bonds3

About 2,3,4,5,6,7,8-heptadeuterio-N-(4-ethenylphenyl)naphthalen-1-amine

2,3,4,5,6,7,8-heptadeuterio-N-(4-ethenylphenyl)naphthalen-1-amine (PubChem CID 140891959) has the molecular formula C18H15N and a molecular weight of 252.37 g/mol. Its IUPAC name is 2,3,4,5,6,7,8-heptadeuterio-N-(4-ethenylphenyl)naphthalen-1-amine.

Molecular Properties

Compound Name2,3,4,5,6,7,8-heptadeuterio-N-(4-ethenylphenyl)naphthalen-1-amine
PubChem CID140891959
Molecular FormulaC18H15N
Molecular Weight252.37 g/mol
Exact Mass252.16
IUPAC Name2,3,4,5,6,7,8-heptadeuterio-N-(4-ethenylphenyl)naphthalen-1-amine
SMILES[2H]c1c([2H])c([2H])c2c(Nc3ccc(C=C)cc3)c([2H])c([2H])c([2H])c2c1[2H]
InChIInChI=1S/C18H15N/c1-2-14-10-12-16(13-11-14)19-18-9-5-7-15-6-3-4-8-17(15)18/h2-13,19H,1H2/i3D,4D,5D,6D,7D,8D,9D
InChIKeySLRDPXGLCPGOAZ-MIBSYSDMSA-N
XLogP5.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.37
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(4-ethenylanilino)naphthalen-1-yl]-N-(4-ethenylphenyl)naphthalen-2-amine
CID 101144380
4-ethenyl-N-phenylaniline
CID 21478062
N-(4-ethenylphenyl)-2-phenylaniline
CID 142706945
1-N,4-N-bis[4-(4-ethenylphenoxy)phenyl]benzene-1,4-diamine
CID 139419448
N,4-bis(ethenyl)aniline
CID 21060901
N-(4-ethenylphenyl)-6-methylquinolin-4-amine
CID 157044190
N-(4-ethenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 146333010
2,3,4,5,6-pentadeuterio-N-[4-[4-(4-ethenyl-N-(2,3,4,5,6-pentadeuteriophenyl)anilino)phenyl]phenyl]-N-(4-ethenylphenyl)aniline
CID 89212483
4-ethenyl-N-[4-[2-[4-(4-ethenylanilino)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]aniline
CID 137446475
2-N,6-N-bis(4-ethenylphenyl)pyridine-2,6-dicarboxamide
CID 156600187
ethane;N-(4-ethenylphenyl)formamide
CID 143911440
(4-ethenylphenyl)carbamic acid
CID 22352089

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6,7,8-heptadeuterio-N-(4-ethenylphenyl)naphthalen-1-amine?
The IUPAC name of 2,3,4,5,6,7,8-heptadeuterio-N-(4-ethenylphenyl)naphthalen-1-amine (CID 140891959) is 2,3,4,5,6,7,8-heptadeuterio-N-(4-ethenylphenyl)naphthalen-1-amine.
What is the SMILES notation for 2,3,4,5,6,7,8-heptadeuterio-N-(4-ethenylphenyl)naphthalen-1-amine?
The canonical SMILES for 2,3,4,5,6,7,8-heptadeuterio-N-(4-ethenylphenyl)naphthalen-1-amine is [2H]c1c([2H])c([2H])c2c(Nc3ccc(C=C)cc3)c([2H])c([2H])c([2H])c2c1[2H].
What is the InChIKey of 2,3,4,5,6,7,8-heptadeuterio-N-(4-ethenylphenyl)naphthalen-1-amine?
The InChIKey is SLRDPXGLCPGOAZ-MIBSYSDMSA-N. The full InChI is InChI=1S/C18H15N/c1-2-14-10-12-16(13-11-14)19-18-9-5-7-15-6-3-4-8-17(15)18/h2-13,19H,1H2/i3D,4D,5D,6D,7D,8D,9D.
What are the key properties of 2,3,4,5,6,7,8-heptadeuterio-N-(4-ethenylphenyl)naphthalen-1-amine?
2,3,4,5,6,7,8-heptadeuterio-N-(4-ethenylphenyl)naphthalen-1-amine has a molecular weight of 252.37 g/mol, XLogP of 5.23, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6,7,8-heptadeuterio-N-(4-ethenylphenyl)naphthalen-1-amine is sourced from PubChem (CID 140891959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).