N-[1-[2-(4-propan-2-ylphenyl)phenyl]ethyl]propan-1-amine

C20H27N — CID 63424587

IUPACN-[1-[2-(4-propan-2-ylphenyl)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccccc1-c1ccc(C(C)C)cc1
InChIInChI=1S/C20H27N/c1-5-14-21-16(4)19-8-6-7-9-20(19)18-12-10-17(11-13-18)15(2)3/h6-13,15-16,21H,5,14H2,1-4H3
InChIKeyWBYBHVUEUOIZSQ-UHFFFAOYSA-N
MW281.44 g/mol
LogP5.54
Rot. Bonds6

About N-[1-[2-(4-propan-2-ylphenyl)phenyl]ethyl]propan-1-amine

N-[1-[2-(4-propan-2-ylphenyl)phenyl]ethyl]propan-1-amine (PubChem CID 63424587) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is N-[1-[2-(4-propan-2-ylphenyl)phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[2-(4-propan-2-ylphenyl)phenyl]ethyl]propan-1-amine
PubChem CID63424587
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC NameN-[1-[2-(4-propan-2-ylphenyl)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccccc1-c1ccc(C(C)C)cc1
InChIInChI=1S/C20H27N/c1-5-14-21-16(4)19-8-6-7-9-20(19)18-12-10-17(11-13-18)15(2)3/h6-13,15-16,21H,5,14H2,1-4H3
InChIKeyWBYBHVUEUOIZSQ-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-[1-[2-(3-chloro-4-fluorophenyl)phenyl]ethyl]propan-1-amine
CID 115504412
N-[1-[2-(2-fluorophenyl)phenyl]ethyl]propan-1-amine
CID 55078796
N-[1-[2-(3-propylphenyl)phenyl]ethyl]propan-1-amine
CID 116545311
N-[1-[2-(1,3-dihydro-2-benzofuran-5-yl)phenyl]ethyl]propan-1-amine
CID 63020950
N-[1-[4-(2,3-dichlorophenyl)phenyl]ethyl]propan-1-amine
CID 63423946
N-[1-(2-pyridin-2-ylphenyl)ethyl]propan-1-amine
CID 63679644
N-[[2-(4-propan-2-ylphenyl)phenyl]methyl]propan-1-amine
CID 63424719
N-[1-[2-(2-chloro-4,5-difluorophenyl)phenyl]ethyl]propan-1-amine
CID 107476928
N-[1-[2-chloro-4-(2-methoxyphenyl)phenyl]ethyl]propan-1-amine
CID 82771994
N-[1-[2-(3-fluoro-2-methylphenyl)phenyl]ethyl]propan-1-amine
CID 115502854
N-(2-ethoxyethyl)-1-[2-(4-ethoxyphenyl)phenyl]ethanamine
CID 22052251
3-fluoro-5-[2-[1-(propylamino)ethyl]phenyl]benzonitrile
CID 66423884

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-propan-2-ylphenyl)phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[2-(4-propan-2-ylphenyl)phenyl]ethyl]propan-1-amine (CID 63424587) is N-[1-[2-(4-propan-2-ylphenyl)phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[2-(4-propan-2-ylphenyl)phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[2-(4-propan-2-ylphenyl)phenyl]ethyl]propan-1-amine is CCCNC(C)c1ccccc1-c1ccc(C(C)C)cc1.
What is the InChIKey of N-[1-[2-(4-propan-2-ylphenyl)phenyl]ethyl]propan-1-amine?
The InChIKey is WBYBHVUEUOIZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-5-14-21-16(4)19-8-6-7-9-20(19)18-12-10-17(11-13-18)15(2)3/h6-13,15-16,21H,5,14H2,1-4H3.
What are the key properties of N-[1-[2-(4-propan-2-ylphenyl)phenyl]ethyl]propan-1-amine?
N-[1-[2-(4-propan-2-ylphenyl)phenyl]ethyl]propan-1-amine 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 N-[1-[2-(4-propan-2-ylphenyl)phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 63424587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).