ethane;4-naphthalen-2-ylaniline;prop-1-ene

C21H25N — CID 145312998

IUPACethane;4-naphthalen-2-ylaniline;prop-1-ene
SMILESC=CC.CC.Nc1ccc(-c2ccc3ccccc3c2)cc1
InChIInChI=1S/C16H13N.C3H6.C2H6/c17-16-9-7-13(8-10-16)15-6-5-12-3-1-2-4-14(12)11-15;1-3-2;1-2/h1-11H,17H2;3H,1H2,2H3;1-2H3
InChIKeyNEZUQYCITSZMDW-UHFFFAOYSA-N
MW291.44 g/mol
LogP6.31
Rot. Bonds1

About ethane;4-naphthalen-2-ylaniline;prop-1-ene

ethane;4-naphthalen-2-ylaniline;prop-1-ene (PubChem CID 145312998) has the molecular formula C21H25N and a molecular weight of 291.44 g/mol. Its IUPAC name is ethane;4-naphthalen-2-ylaniline;prop-1-ene.

Molecular Properties

Compound Nameethane;4-naphthalen-2-ylaniline;prop-1-ene
PubChem CID145312998
Molecular FormulaC21H25N
Molecular Weight291.44 g/mol
Exact Mass291.20
IUPAC Nameethane;4-naphthalen-2-ylaniline;prop-1-ene
SMILESC=CC.CC.Nc1ccc(-c2ccc3ccccc3c2)cc1
InChIInChI=1S/C16H13N.C3H6.C2H6/c17-16-9-7-13(8-10-16)15-6-5-12-3-1-2-4-14(12)11-15;1-3-2;1-2/h1-11H,17H2;3H,1H2,2H3;1-2H3
InChIKeyNEZUQYCITSZMDW-UHFFFAOYSA-N
XLogP6.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.44
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethane;2-naphthalen-2-ylnaphthalene;bis(prop-1-ene)
CID 144938631
4-[4-(4-aminophenyl)phenyl]-2,3,5,6-tetranaphthalen-2-ylaniline
CID 87150569
4-[4-[4-[4-(4-aminophenyl)-3,5-dinaphthalen-2-ylphenyl]phenyl]-2,6-dinaphthalen-2-ylphenyl]aniline
CID 100927234
ethane;naphthalen-2-amine
CID 70389802
4-(9,10-dideuterioanthracen-2-yl)aniline
CID 165150289
2,4-dinaphthalen-2-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine;ethane
CID 165043566
benzo[f]azulene
CID 13065869
naphthalene;prop-1-ene
CID 22255850
2-methyl-4-naphthalen-2-ylaniline
CID 54912511
2-(4-naphthalen-2-ylphenyl)aniline
CID 150273295
aniline;naphthalen-2-amine
CID 158733233
2,4-bis(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 153292216

Frequently Asked Questions

What is the IUPAC name of ethane;4-naphthalen-2-ylaniline;prop-1-ene?
The IUPAC name of ethane;4-naphthalen-2-ylaniline;prop-1-ene (CID 145312998) is ethane;4-naphthalen-2-ylaniline;prop-1-ene.
What is the SMILES notation for ethane;4-naphthalen-2-ylaniline;prop-1-ene?
The canonical SMILES for ethane;4-naphthalen-2-ylaniline;prop-1-ene is C=CC.CC.Nc1ccc(-c2ccc3ccccc3c2)cc1.
What is the InChIKey of ethane;4-naphthalen-2-ylaniline;prop-1-ene?
The InChIKey is NEZUQYCITSZMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N.C3H6.C2H6/c17-16-9-7-13(8-10-16)15-6-5-12-3-1-2-4-14(12)11-15;1-3-2;1-2/h1-11H,17H2;3H,1H2,2H3;1-2H3.
What are the key properties of ethane;4-naphthalen-2-ylaniline;prop-1-ene?
ethane;4-naphthalen-2-ylaniline;prop-1-ene has a molecular weight of 291.44 g/mol, XLogP of 6.31, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-naphthalen-2-ylaniline;prop-1-ene is sourced from PubChem (CID 145312998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).