2-[(2E,4Z)-2-naphthalen-1-ylhexa-2,4-dienyl]aniline

C22H21N — CID 144856241

IUPAC2-[(2E,4Z)-2-naphthalen-1-ylhexa-2,4-dienyl]aniline
SMILESC/C=C\C=C(/Cc1ccccc1N)c1cccc2ccccc12
InChIInChI=1S/C22H21N/c1-2-3-9-18(16-19-11-5-7-15-22(19)23)21-14-8-12-17-10-4-6-13-20(17)21/h2-15H,16,23H2,1H3/b3-2-,18-9+
InChIKeyCWYNMQWXCMKURR-HOJOGTLRSA-N
MW299.42 g/mol
LogP5.62
Rot. Bonds4

About 2-[(2E,4Z)-2-naphthalen-1-ylhexa-2,4-dienyl]aniline

2-[(2E,4Z)-2-naphthalen-1-ylhexa-2,4-dienyl]aniline (PubChem CID 144856241) has the molecular formula C22H21N and a molecular weight of 299.42 g/mol. Its IUPAC name is 2-[(2E,4Z)-2-naphthalen-1-ylhexa-2,4-dienyl]aniline.

Molecular Properties

Compound Name2-[(2E,4Z)-2-naphthalen-1-ylhexa-2,4-dienyl]aniline
PubChem CID144856241
Molecular FormulaC22H21N
Molecular Weight299.42 g/mol
Exact Mass299.17
IUPAC Name2-[(2E,4Z)-2-naphthalen-1-ylhexa-2,4-dienyl]aniline
SMILESC/C=C\C=C(/Cc1ccccc1N)c1cccc2ccccc12
InChIInChI=1S/C22H21N/c1-2-3-9-18(16-19-11-5-7-15-22(19)23)21-14-8-12-17-10-4-6-13-20(17)21/h2-15H,16,23H2,1H3/b3-2-,18-9+
InChIKeyCWYNMQWXCMKURR-HOJOGTLRSA-N
XLogP5.62
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.42
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-hexa-2,4-dien-2-ylbenzo[10]annulene
CID 123186746
2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]aniline
CID 144768170
1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]naphthalene
CID 142474091
2-[[methyl(naphthalen-1-ylmethyl)amino]methyl]aniline
CID 43458604
formic acid;naphthalen-1-amine
CID 174286759
CID 135259743
CID 135259743
[(E)-but-2-enyl] naphthalene-1-carboxylate
CID 15424069
1-(1-phenylprop-1-enyl)naphthalene
CID 54216225
N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]naphthalen-1-amine
CID 137398702
naphthalene-1-carbonyl 5-aminonaphthalene-1-carboxylate
CID 174648773
(Z)-3-naphthalen-1-ylbut-2-enal
CID 138583647
azane;naphthalen-1-amine;dihydrochloride
CID 142719941

Frequently Asked Questions

What is the IUPAC name of 2-[(2E,4Z)-2-naphthalen-1-ylhexa-2,4-dienyl]aniline?
The IUPAC name of 2-[(2E,4Z)-2-naphthalen-1-ylhexa-2,4-dienyl]aniline (CID 144856241) is 2-[(2E,4Z)-2-naphthalen-1-ylhexa-2,4-dienyl]aniline.
What is the SMILES notation for 2-[(2E,4Z)-2-naphthalen-1-ylhexa-2,4-dienyl]aniline?
The canonical SMILES for 2-[(2E,4Z)-2-naphthalen-1-ylhexa-2,4-dienyl]aniline is C/C=C\C=C(/Cc1ccccc1N)c1cccc2ccccc12.
What is the InChIKey of 2-[(2E,4Z)-2-naphthalen-1-ylhexa-2,4-dienyl]aniline?
The InChIKey is CWYNMQWXCMKURR-HOJOGTLRSA-N. The full InChI is InChI=1S/C22H21N/c1-2-3-9-18(16-19-11-5-7-15-22(19)23)21-14-8-12-17-10-4-6-13-20(17)21/h2-15H,16,23H2,1H3/b3-2-,18-9+.
What are the key properties of 2-[(2E,4Z)-2-naphthalen-1-ylhexa-2,4-dienyl]aniline?
2-[(2E,4Z)-2-naphthalen-1-ylhexa-2,4-dienyl]aniline has a molecular weight of 299.42 g/mol, XLogP of 5.62, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E,4Z)-2-naphthalen-1-ylhexa-2,4-dienyl]aniline is sourced from PubChem (CID 144856241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).