1-[4-(4-butan-2-ylphenyl)phenyl]-N-ethylethanamine

C20H27N — CID 63424435

IUPAC1-[4-(4-butan-2-ylphenyl)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(-c2ccc(C(C)CC)cc2)cc1
InChIInChI=1S/C20H27N/c1-5-15(3)17-7-11-19(12-8-17)20-13-9-18(10-14-20)16(4)21-6-2/h7-16,21H,5-6H2,1-4H3
InChIKeyMSLMHUXKOKCKHO-UHFFFAOYSA-N
MW281.44 g/mol
LogP5.54
Rot. Bonds6

About 1-[4-(4-butan-2-ylphenyl)phenyl]-N-ethylethanamine

1-[4-(4-butan-2-ylphenyl)phenyl]-N-ethylethanamine (PubChem CID 63424435) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is 1-[4-(4-butan-2-ylphenyl)phenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[4-(4-butan-2-ylphenyl)phenyl]-N-ethylethanamine
PubChem CID63424435
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC Name1-[4-(4-butan-2-ylphenyl)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(-c2ccc(C(C)CC)cc2)cc1
InChIInChI=1S/C20H27N/c1-5-15(3)17-7-11-19(12-8-17)20-13-9-18(10-14-20)16(4)21-6-2/h7-16,21H,5-6H2,1-4H3
InChIKeyMSLMHUXKOKCKHO-UHFFFAOYSA-N
XLogP5.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.44
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-1-(4-fluorophenyl)ethanamine
CID 21251078
2,4,6-tris[4-(4-butan-2-ylphenyl)phenyl]-1,3,5-triazine
CID 58250718
(1R)-1-[4-[(2R)-butan-2-yl]oxyphenyl]-N-ethylethanamine
CID 93007249
acetic acid;(1S)-N-ethyl-1-(4-methylphenyl)ethanamine
CID 91361825
3-[4-[1-(ethylamino)ethyl]phenyl]benzonitrile
CID 54912076
2,4,6-tris(4-butan-2-ylphenyl)-1,3,5-triazine
CID 58250690
ethane;N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 143132018
1-(4-butan-2-ylphenyl)-N-ethyl-2-methylpentan-1-amine
CID 43490297
1-[4-(2-chloro-4,5-dimethylphenyl)phenyl]-N-ethylethanamine
CID 115484394
1-[4-(2-chloro-4,5-difluorophenyl)phenyl]-N-ethylethanamine
CID 107476887
1-(4-butan-2-ylphenyl)-2-cyclopropyl-N-ethylpropan-1-amine
CID 83153900
N-ethyl-1-[4-(2-propan-2-yloxyethoxy)phenyl]ethanamine
CID 43285146

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-butan-2-ylphenyl)phenyl]-N-ethylethanamine?
The IUPAC name of 1-[4-(4-butan-2-ylphenyl)phenyl]-N-ethylethanamine (CID 63424435) is 1-[4-(4-butan-2-ylphenyl)phenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[4-(4-butan-2-ylphenyl)phenyl]-N-ethylethanamine?
The canonical SMILES for 1-[4-(4-butan-2-ylphenyl)phenyl]-N-ethylethanamine is CCNC(C)c1ccc(-c2ccc(C(C)CC)cc2)cc1.
What is the InChIKey of 1-[4-(4-butan-2-ylphenyl)phenyl]-N-ethylethanamine?
The InChIKey is MSLMHUXKOKCKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-5-15(3)17-7-11-19(12-8-17)20-13-9-18(10-14-20)16(4)21-6-2/h7-16,21H,5-6H2,1-4H3.
What are the key properties of 1-[4-(4-butan-2-ylphenyl)phenyl]-N-ethylethanamine?
1-[4-(4-butan-2-ylphenyl)phenyl]-N-ethylethanamine has a molecular weight of 281.44 g/mol, XLogP of 5.54, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-butan-2-ylphenyl)phenyl]-N-ethylethanamine is sourced from PubChem (CID 63424435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).