1-(4-tert-butylphenyl)-1-phenylpropan-1-amine

C19H25N — CID 63408284

IUPAC1-(4-tert-butylphenyl)-1-phenylpropan-1-amine
SMILESCCC(N)(c1ccccc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H25N/c1-5-19(20,16-9-7-6-8-10-16)17-13-11-15(12-14-17)18(2,3)4/h6-14H,5,20H2,1-4H3
InChIKeyCXYDLWBWTLKTFI-UHFFFAOYSA-N
MW267.42 g/mol
LogP4.60
Rot. Bonds3

About 1-(4-tert-butylphenyl)-1-phenylpropan-1-amine

1-(4-tert-butylphenyl)-1-phenylpropan-1-amine (PubChem CID 63408284) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-1-phenylpropan-1-amine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-1-phenylpropan-1-amine
PubChem CID63408284
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC Name1-(4-tert-butylphenyl)-1-phenylpropan-1-amine
SMILESCCC(N)(c1ccccc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H25N/c1-5-19(20,16-9-7-6-8-10-16)17-13-11-15(12-14-17)18(2,3)4/h6-14H,5,20H2,1-4H3
InChIKeyCXYDLWBWTLKTFI-UHFFFAOYSA-N
XLogP4.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-tert-butylphenyl)butan-2-amine
CID 62548189
1-[4-(2-aminoethyl)phenyl]-1-phenylpropan-1-amine
CID 173452747
1-phenyl-1-thiophen-3-ylpropan-1-amine
CID 65100038
CID 171375456
CID 171375456
tert-butylbenzene;hexane
CID 175254424
3-(4-tert-butylphenyl)pentan-3-amine
CID 60986945
tert-butylbenzene;2,2-dimethylpropane;methane
CID 160959011
tert-butylbenzene;molecular nitrogen
CID 146464751
tert-butylbenzene;chloromethane;ethane
CID 91149652
benzene;tert-butylbenzene;bis(2,2-dimethylpropane);ethane
CID 158670454
3,3,4,5,5-pentamethylheptan-4-ylbenzene
CID 144815892
3-phenylpentan-3-amine;2-phenylpropan-2-amine
CID 67930723

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-1-phenylpropan-1-amine?
The IUPAC name of 1-(4-tert-butylphenyl)-1-phenylpropan-1-amine (CID 63408284) is 1-(4-tert-butylphenyl)-1-phenylpropan-1-amine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-1-phenylpropan-1-amine?
The canonical SMILES for 1-(4-tert-butylphenyl)-1-phenylpropan-1-amine is CCC(N)(c1ccccc1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-1-phenylpropan-1-amine?
The InChIKey is CXYDLWBWTLKTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N/c1-5-19(20,16-9-7-6-8-10-16)17-13-11-15(12-14-17)18(2,3)4/h6-14H,5,20H2,1-4H3.
What are the key properties of 1-(4-tert-butylphenyl)-1-phenylpropan-1-amine?
1-(4-tert-butylphenyl)-1-phenylpropan-1-amine has a molecular weight of 267.42 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-1-phenylpropan-1-amine is sourced from PubChem (CID 63408284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).