4-butan-2-ylaniline;ethane;1-methoxy-4-(1-phenylethenyl)benzene

C27H35NO — CID 144623859

IUPAC4-butan-2-ylaniline;ethane;1-methoxy-4-(1-phenylethenyl)benzene
SMILESC=C(c1ccccc1)c1ccc(OC)cc1.CC.CCC(C)c1ccc(N)cc1
InChIInChI=1S/C15H14O.C10H15N.C2H6/c1-12(13-6-4-3-5-7-13)14-8-10-15(16-2)11-9-14;1-3-8(2)9-4-6-10(11)7-5-9;1-2/h3-11H,1H2,2H3;4-8H,3,11H2,1-2H3;1-2H3
InChIKeyUWILEUNNDAWPGB-UHFFFAOYSA-N
MW389.58 g/mol
LogP7.57
Rot. Bonds5

About 4-butan-2-ylaniline;ethane;1-methoxy-4-(1-phenylethenyl)benzene

4-butan-2-ylaniline;ethane;1-methoxy-4-(1-phenylethenyl)benzene (PubChem CID 144623859) has the molecular formula C27H35NO and a molecular weight of 389.58 g/mol. Its IUPAC name is 4-butan-2-ylaniline;ethane;1-methoxy-4-(1-phenylethenyl)benzene.

Molecular Properties

Compound Name4-butan-2-ylaniline;ethane;1-methoxy-4-(1-phenylethenyl)benzene
PubChem CID144623859
Molecular FormulaC27H35NO
Molecular Weight389.58 g/mol
Exact Mass389.27
IUPAC Name4-butan-2-ylaniline;ethane;1-methoxy-4-(1-phenylethenyl)benzene
SMILESC=C(c1ccccc1)c1ccc(OC)cc1.CC.CCC(C)c1ccc(N)cc1
InChIInChI=1S/C15H14O.C10H15N.C2H6/c1-12(13-6-4-3-5-7-13)14-8-10-15(16-2)11-9-14;1-3-8(2)9-4-6-10(11)7-5-9;1-2/h3-11H,1H2,2H3;4-8H,3,11H2,1-2H3;1-2H3
InChIKeyUWILEUNNDAWPGB-UHFFFAOYSA-N
XLogP7.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.58
LogP ≤ 57.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-N-(4-butan-2-ylphenyl)-4-N-(4-methoxyphenyl)-1-N,1-N-diphenylbenzene-1,4-diamine
CID 122451360
(4-butan-2-ylphenyl)-(4-methoxyphenyl)methanamine
CID 43198098
1-(4-butan-2-ylphenyl)-2-phenylethane-1,2-dithione
CID 18994097
4-[1-(4-methoxyphenyl)ethyl]aniline
CID 11644284
1-methoxy-4-(4-phenylhexan-2-yl)benzene
CID 134214893
ethane;4-methoxyaniline
CID 144603339
(2S)-2-(4-methoxyphenyl)-1-phenylbutan-1-one
CID 93090141
1-methoxy-4-[4-[1-[4-(4-methoxyphenoxy)phenyl]ethenyl]phenoxy]benzene
CID 21292587
1-buta-1,3-dien-2-yl-4-butan-2-ylbenzene
CID 147431279
1-[(2R)-butan-2-yl]-4-[2-[2-(4-methoxyphenoxy)ethoxy]ethoxy]benzene
CID 2282958
2-ethyl-1-(4-methoxyphenyl)-3-phenylpropane-1,3-dione
CID 102585480
1-butan-2-yl-4-(1-phenylethoxy)benzene
CID 58079027

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-ylaniline;ethane;1-methoxy-4-(1-phenylethenyl)benzene?
The IUPAC name of 4-butan-2-ylaniline;ethane;1-methoxy-4-(1-phenylethenyl)benzene (CID 144623859) is 4-butan-2-ylaniline;ethane;1-methoxy-4-(1-phenylethenyl)benzene.
What is the SMILES notation for 4-butan-2-ylaniline;ethane;1-methoxy-4-(1-phenylethenyl)benzene?
The canonical SMILES for 4-butan-2-ylaniline;ethane;1-methoxy-4-(1-phenylethenyl)benzene is C=C(c1ccccc1)c1ccc(OC)cc1.CC.CCC(C)c1ccc(N)cc1.
What is the InChIKey of 4-butan-2-ylaniline;ethane;1-methoxy-4-(1-phenylethenyl)benzene?
The InChIKey is UWILEUNNDAWPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O.C10H15N.C2H6/c1-12(13-6-4-3-5-7-13)14-8-10-15(16-2)11-9-14;1-3-8(2)9-4-6-10(11)7-5-9;1-2/h3-11H,1H2,2H3;4-8H,3,11H2,1-2H3;1-2H3.
What are the key properties of 4-butan-2-ylaniline;ethane;1-methoxy-4-(1-phenylethenyl)benzene?
4-butan-2-ylaniline;ethane;1-methoxy-4-(1-phenylethenyl)benzene has a molecular weight of 389.58 g/mol, XLogP of 7.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-ylaniline;ethane;1-methoxy-4-(1-phenylethenyl)benzene is sourced from PubChem (CID 144623859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).