1-[4-(4-butylphenyl)phenyl]ethenamine

C18H21N — CID 166698710

IUPAC1-[4-(4-butylphenyl)phenyl]ethenamine
SMILESC=C(N)c1ccc(-c2ccc(CCCC)cc2)cc1
InChIInChI=1S/C18H21N/c1-3-4-5-15-6-8-17(9-7-15)18-12-10-16(11-13-18)14(2)19/h6-13H,2-5,19H2,1H3
InChIKeyCICBXYJOTJYSJB-UHFFFAOYSA-N
MW251.37 g/mol
LogP4.63
Rot. Bonds5

About 1-[4-(4-butylphenyl)phenyl]ethenamine

1-[4-(4-butylphenyl)phenyl]ethenamine (PubChem CID 166698710) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-[4-(4-butylphenyl)phenyl]ethenamine.

Molecular Properties

Compound Name1-[4-(4-butylphenyl)phenyl]ethenamine
PubChem CID166698710
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name1-[4-(4-butylphenyl)phenyl]ethenamine
SMILESC=C(N)c1ccc(-c2ccc(CCCC)cc2)cc1
InChIInChI=1S/C18H21N/c1-3-4-5-15-6-8-17(9-7-15)18-12-10-16(11-13-18)14(2)19/h6-13H,2-5,19H2,1H3
InChIKeyCICBXYJOTJYSJB-UHFFFAOYSA-N
XLogP4.63
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-butyl-4-[4-[2-(4-prop-1-en-2-ylphenyl)ethyl]phenyl]benzene
CID 58428364
1-butyl-4-[3-(4-butylphenyl)buta-1,3-dien-2-yl]benzene
CID 122396068
4-(4-butylphenyl)benzoic acid;ethane
CID 144633228
2-(4-butylphenyl)prop-2-en-1-ol
CID 58735370
4-butyl-N'-hydroxybenzenecarboximidamide
CID 7018220
1-butyl-4-(4-ethylphenyl)benzene;ethane
CID 145367281
pentyl 4-(4-butylphenyl)benzoate
CID 70501993
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
1-[(E)-1,2-difluoro-2-(4-heptylphenyl)ethenyl]-4-(4-nonylphenyl)benzene
CID 101164574
1-butyl-4-phenylbenzene;ethane
CID 143743409
1-butyl-4-(4-chlorophenyl)benzene
CID 71329795
4-(4-dodecylphenyl)benzoic acid
CID 3092136

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-butylphenyl)phenyl]ethenamine?
The IUPAC name of 1-[4-(4-butylphenyl)phenyl]ethenamine (CID 166698710) is 1-[4-(4-butylphenyl)phenyl]ethenamine.
What is the SMILES notation for 1-[4-(4-butylphenyl)phenyl]ethenamine?
The canonical SMILES for 1-[4-(4-butylphenyl)phenyl]ethenamine is C=C(N)c1ccc(-c2ccc(CCCC)cc2)cc1.
What is the InChIKey of 1-[4-(4-butylphenyl)phenyl]ethenamine?
The InChIKey is CICBXYJOTJYSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-3-4-5-15-6-8-17(9-7-15)18-12-10-16(11-13-18)14(2)19/h6-13H,2-5,19H2,1H3.
What are the key properties of 1-[4-(4-butylphenyl)phenyl]ethenamine?
1-[4-(4-butylphenyl)phenyl]ethenamine has a molecular weight of 251.37 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-butylphenyl)phenyl]ethenamine is sourced from PubChem (CID 166698710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).