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

C20H27N — CID 43712916

IUPAC1-phenyl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-1-amine
SMILESCCC(NC(C)c1ccc(C(C)C)cc1)c1ccccc1
InChIInChI=1S/C20H27N/c1-5-20(19-9-7-6-8-10-19)21-16(4)18-13-11-17(12-14-18)15(2)3/h6-16,20-21H,5H2,1-4H3
InChIKeyITUSSFRQCJBOBF-UHFFFAOYSA-N
MW281.44 g/mol
LogP5.61
Rot. Bonds6

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

1-phenyl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-1-amine (PubChem CID 43712916) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is 1-phenyl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound Name1-phenyl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-1-amine
PubChem CID43712916
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC Name1-phenyl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-1-amine
SMILESCCC(NC(C)c1ccc(C(C)C)cc1)c1ccccc1
InChIInChI=1S/C20H27N/c1-5-20(19-9-7-6-8-10-19)21-16(4)18-13-11-17(12-14-18)15(2)3/h6-16,20-21H,5H2,1-4H3
InChIKeyITUSSFRQCJBOBF-UHFFFAOYSA-N
XLogP5.61
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 ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-phenyl-N-[(1S)-1-phenylethyl]propan-1-amine
CID 78956018
1-(4-methylphenyl)-N-[(1R)-1-phenylethyl]propan-1-amine
CID 81351883
1-(4-bromophenyl)-N-[(1R)-1-phenylethyl]propan-1-amine
CID 81350988
1-(4-bromophenyl)-N-[(1S)-1-phenylethyl]propan-1-amine
CID 81350927
1-(4-chlorophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 81352929
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-phenylpropan-1-amine
CID 81366125
1-(4-chlorophenyl)-N-[(1S)-1-phenylethyl]butan-1-amine
CID 81351382
(1S)-1-phenyl-N-propan-2-ylpropan-1-amine
CID 14387504
2-[1-(1-phenylethylamino)propyl]phenol
CID 43189917
N-(1-phenylpropyl)-4-propan-2-ylbenzamide
CID 17327920
3-methyl-1-phenyl-N-(1-phenylethyl)butan-1-amine
CID 43081295
3-methyl-1-phenyl-N-[(1S)-1-phenylethyl]butan-1-amine
CID 81351399

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-1-amine?
The IUPAC name of 1-phenyl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-1-amine (CID 43712916) is 1-phenyl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for 1-phenyl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-1-amine?
The canonical SMILES for 1-phenyl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-1-amine is CCC(NC(C)c1ccc(C(C)C)cc1)c1ccccc1.
What is the InChIKey of 1-phenyl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-1-amine?
The InChIKey is ITUSSFRQCJBOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-5-20(19-9-7-6-8-10-19)21-16(4)18-13-11-17(12-14-18)15(2)3/h6-16,20-21H,5H2,1-4H3.
What are the key properties of 1-phenyl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-1-amine?
1-phenyl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-1-amine has a molecular weight of 281.44 g/mol, XLogP of 5.61, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 43712916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).