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

C20H27N — CID 63413063

IUPACN-[1-phenyl-2-(4-propan-2-ylphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(C(C)C)cc1)c1ccccc1
InChIInChI=1S/C20H27N/c1-4-14-21-20(19-8-6-5-7-9-19)15-17-10-12-18(13-11-17)16(2)3/h5-13,16,20-21H,4,14-15H2,1-3H3
InChIKeyPXODUPZAWBTUTJ-UHFFFAOYSA-N
MW281.44 g/mol
LogP5.09
Rot. Bonds7

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

N-[1-phenyl-2-(4-propan-2-ylphenyl)ethyl]propan-1-amine (PubChem CID 63413063) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is N-[1-phenyl-2-(4-propan-2-ylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-phenyl-2-(4-propan-2-ylphenyl)ethyl]propan-1-amine
PubChem CID63413063
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC NameN-[1-phenyl-2-(4-propan-2-ylphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(C(C)C)cc1)c1ccccc1
InChIInChI=1S/C20H27N/c1-4-14-21-20(19-8-6-5-7-9-19)15-17-10-12-18(13-11-17)16(2)3/h5-13,16,20-21H,4,14-15H2,1-3H3
InChIKeyPXODUPZAWBTUTJ-UHFFFAOYSA-N
XLogP5.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.44
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1S)-1,2-diphenylethyl]propan-1-amine
CID 36689865
N-[2-(4-methylphenyl)-1-phenylethyl]propan-1-amine
CID 43494855
N-[1-(4-methylphenyl)-2-phenylethyl]propan-1-amine
CID 43495145
N-[2-(3,4-dichlorophenyl)-1-phenylethyl]propan-1-amine
CID 63413061
N-[1-(4-methoxyphenyl)-2-phenylethyl]propan-1-amine
CID 43495037
N-[1-(5-methylfuran-2-yl)-2-(4-propan-2-ylphenyl)ethyl]propan-1-amine
CID 115844288
N-[1-(3-chloro-4-methylphenyl)-2-phenylethyl]propan-1-amine
CID 63527074
N-[1-(3-chloro-4-iodophenyl)-2-phenylethyl]propan-1-amine
CID 103214524
N-[1-(3-methylthiophen-2-yl)-2-(4-propan-2-ylphenyl)ethyl]propan-1-amine
CID 115844177
N-ethyl-2-phenyl-1-(4-propylphenyl)ethanamine
CID 43491649
N-[1-(4-iodophenyl)-2-(4-methylphenyl)ethyl]propan-1-amine
CID 63527594
N-[1-(3-methoxyphenyl)-2-phenylethyl]propan-1-amine
CID 60799452

Frequently Asked Questions

What is the IUPAC name of N-[1-phenyl-2-(4-propan-2-ylphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-phenyl-2-(4-propan-2-ylphenyl)ethyl]propan-1-amine (CID 63413063) is N-[1-phenyl-2-(4-propan-2-ylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-phenyl-2-(4-propan-2-ylphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-phenyl-2-(4-propan-2-ylphenyl)ethyl]propan-1-amine is CCCNC(Cc1ccc(C(C)C)cc1)c1ccccc1.
What is the InChIKey of N-[1-phenyl-2-(4-propan-2-ylphenyl)ethyl]propan-1-amine?
The InChIKey is PXODUPZAWBTUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-4-14-21-20(19-8-6-5-7-9-19)15-17-10-12-18(13-11-17)16(2)3/h5-13,16,20-21H,4,14-15H2,1-3H3.
What are the key properties of N-[1-phenyl-2-(4-propan-2-ylphenyl)ethyl]propan-1-amine?
N-[1-phenyl-2-(4-propan-2-ylphenyl)ethyl]propan-1-amine has a molecular weight of 281.44 g/mol, XLogP of 5.09, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-phenyl-2-(4-propan-2-ylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 63413063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).