N-ethyl-4-methoxy-2-[(2E,4E)-nona-2,4-dien-2-yl]aniline

C18H27NO — CID 102087759

IUPACN-ethyl-4-methoxy-2-[(2E,4E)-nona-2,4-dien-2-yl]aniline
SMILESCCCC/C=C/C=C(\C)c1cc(OC)ccc1NCC
InChIInChI=1S/C18H27NO/c1-5-7-8-9-10-11-15(3)17-14-16(20-4)12-13-18(17)19-6-2/h9-14,19H,5-8H2,1-4H3/b10-9+,15-11+
InChIKeyZHDXRDRUAXYNAT-LVICEBGESA-N
MW273.42 g/mol
LogP5.28
Rot. Bonds8

About N-ethyl-4-methoxy-2-[(2E,4E)-nona-2,4-dien-2-yl]aniline

N-ethyl-4-methoxy-2-[(2E,4E)-nona-2,4-dien-2-yl]aniline (PubChem CID 102087759) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is N-ethyl-4-methoxy-2-[(2E,4E)-nona-2,4-dien-2-yl]aniline.

Molecular Properties

Compound NameN-ethyl-4-methoxy-2-[(2E,4E)-nona-2,4-dien-2-yl]aniline
PubChem CID102087759
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC NameN-ethyl-4-methoxy-2-[(2E,4E)-nona-2,4-dien-2-yl]aniline
SMILESCCCC/C=C/C=C(\C)c1cc(OC)ccc1NCC
InChIInChI=1S/C18H27NO/c1-5-7-8-9-10-11-15(3)17-14-16(20-4)12-13-18(17)19-6-2/h9-14,19H,5-8H2,1-4H3/b10-9+,15-11+
InChIKeyZHDXRDRUAXYNAT-LVICEBGESA-N
XLogP5.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.42
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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CID 6437235
CID 170845045
CID 170845045
5-methoxy-2-(propylamino)benzoic acid
CID 54594237
2-(heptanoylamino)-5-methoxybenzoic acid
CID 115410928
5-methoxy-2-(octanoylamino)benzoic acid
CID 78980039
2-(butylamino)-4-methoxyphenol
CID 57058313
2,4-dimethoxy-N-pentylaniline
CID 28570496
N-[2-(ethylamino)-4-methoxyphenyl]prop-2-enamide
CID 144945508
S-methyl 2-(ethylamino)-4-methoxybenzenecarbothioate
CID 14626447
4-methoxy-2-methyl-N-nonylaniline
CID 63492120

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methoxy-2-[(2E,4E)-nona-2,4-dien-2-yl]aniline?
The IUPAC name of N-ethyl-4-methoxy-2-[(2E,4E)-nona-2,4-dien-2-yl]aniline (CID 102087759) is N-ethyl-4-methoxy-2-[(2E,4E)-nona-2,4-dien-2-yl]aniline.
What is the SMILES notation for N-ethyl-4-methoxy-2-[(2E,4E)-nona-2,4-dien-2-yl]aniline?
The canonical SMILES for N-ethyl-4-methoxy-2-[(2E,4E)-nona-2,4-dien-2-yl]aniline is CCCC/C=C/C=C(\C)c1cc(OC)ccc1NCC.
What is the InChIKey of N-ethyl-4-methoxy-2-[(2E,4E)-nona-2,4-dien-2-yl]aniline?
The InChIKey is ZHDXRDRUAXYNAT-LVICEBGESA-N. The full InChI is InChI=1S/C18H27NO/c1-5-7-8-9-10-11-15(3)17-14-16(20-4)12-13-18(17)19-6-2/h9-14,19H,5-8H2,1-4H3/b10-9+,15-11+.
What are the key properties of N-ethyl-4-methoxy-2-[(2E,4E)-nona-2,4-dien-2-yl]aniline?
N-ethyl-4-methoxy-2-[(2E,4E)-nona-2,4-dien-2-yl]aniline has a molecular weight of 273.42 g/mol, XLogP of 5.28, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methoxy-2-[(2E,4E)-nona-2,4-dien-2-yl]aniline is sourced from PubChem (CID 102087759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).