2,3-dimethyl-N-[1-(4-phenylphenyl)ethyl]butan-1-amine

C20H27N — CID 64570250

IUPAC2,3-dimethyl-N-[1-(4-phenylphenyl)ethyl]butan-1-amine
SMILESCC(NCC(C)C(C)C)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H27N/c1-15(2)16(3)14-21-17(4)18-10-12-20(13-11-18)19-8-6-5-7-9-19/h5-13,15-17,21H,14H2,1-4H3
InChIKeyWOWYKUCSTKTZIF-UHFFFAOYSA-N
MW281.44 g/mol
LogP5.30
Rot. Bonds6

About 2,3-dimethyl-N-[1-(4-phenylphenyl)ethyl]butan-1-amine

2,3-dimethyl-N-[1-(4-phenylphenyl)ethyl]butan-1-amine (PubChem CID 64570250) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is 2,3-dimethyl-N-[1-(4-phenylphenyl)ethyl]butan-1-amine.

Molecular Properties

Compound Name2,3-dimethyl-N-[1-(4-phenylphenyl)ethyl]butan-1-amine
PubChem CID64570250
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC Name2,3-dimethyl-N-[1-(4-phenylphenyl)ethyl]butan-1-amine
SMILESCC(NCC(C)C(C)C)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H27N/c1-15(2)16(3)14-21-17(4)18-10-12-20(13-11-18)19-8-6-5-7-9-19/h5-13,15-17,21H,14H2,1-4H3
InChIKeyWOWYKUCSTKTZIF-UHFFFAOYSA-N
XLogP5.30
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 ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-1-[1-(4-phenylphenyl)ethylamino]butan-2-ol
CID 115720487
N-[1-(4-methylphenyl)ethyl]-2-phenylpropan-1-amine
CID 43097751
2,3-dimethyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butan-1-amine
CID 64570267
3-methyl-2-[1-(4-phenylphenyl)ethylamino]butan-1-ol
CID 79236662
N-methyl-2-[1-(4-phenylphenyl)ethylamino]acetamide
CID 43214687
N-(2-ethoxyethyl)-1-(4-phenylphenyl)ethanamine
CID 43403695
1,3-bis[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 15470316
1,4-bis(1-phenylethylamino)butane-2,3-diol
CID 20833353
2-[2-[1-(4-phenylphenyl)ethylamino]ethoxy]ethanol
CID 43207514
2-ethyl-N-(1-phenylethyl)butan-1-amine
CID 43177121
(1S)-1-phenyl-2-(1-phenylethylamino)ethanol
CID 70464051
1-phenyl-2-(1-phenylethylamino)ethanol
CID 4665183

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[1-(4-phenylphenyl)ethyl]butan-1-amine?
The IUPAC name of 2,3-dimethyl-N-[1-(4-phenylphenyl)ethyl]butan-1-amine (CID 64570250) is 2,3-dimethyl-N-[1-(4-phenylphenyl)ethyl]butan-1-amine.
What is the SMILES notation for 2,3-dimethyl-N-[1-(4-phenylphenyl)ethyl]butan-1-amine?
The canonical SMILES for 2,3-dimethyl-N-[1-(4-phenylphenyl)ethyl]butan-1-amine is CC(NCC(C)C(C)C)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2,3-dimethyl-N-[1-(4-phenylphenyl)ethyl]butan-1-amine?
The InChIKey is WOWYKUCSTKTZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-15(2)16(3)14-21-17(4)18-10-12-20(13-11-18)19-8-6-5-7-9-19/h5-13,15-17,21H,14H2,1-4H3.
What are the key properties of 2,3-dimethyl-N-[1-(4-phenylphenyl)ethyl]butan-1-amine?
2,3-dimethyl-N-[1-(4-phenylphenyl)ethyl]butan-1-amine has a molecular weight of 281.44 g/mol, XLogP of 5.30, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[1-(4-phenylphenyl)ethyl]butan-1-amine is sourced from PubChem (CID 64570250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).