1-(4-tert-butylphenyl)-4-phenylbutan-2-amine

C20H27N — CID 63417179

IUPAC1-(4-tert-butylphenyl)-4-phenylbutan-2-amine
SMILESCC(C)(C)c1ccc(CC(N)CCc2ccccc2)cc1
InChIInChI=1S/C20H27N/c1-20(2,3)18-12-9-17(10-13-18)15-19(21)14-11-16-7-5-4-6-8-16/h4-10,12-13,19H,11,14-15,21H2,1-3H3
InChIKeyKXMBDCJGALBUBN-UHFFFAOYSA-N
MW281.44 g/mol
LogP4.49
Rot. Bonds5

About 1-(4-tert-butylphenyl)-4-phenylbutan-2-amine

1-(4-tert-butylphenyl)-4-phenylbutan-2-amine (PubChem CID 63417179) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-4-phenylbutan-2-amine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-4-phenylbutan-2-amine
PubChem CID63417179
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC Name1-(4-tert-butylphenyl)-4-phenylbutan-2-amine
SMILESCC(C)(C)c1ccc(CC(N)CCc2ccccc2)cc1
InChIInChI=1S/C20H27N/c1-20(2,3)18-12-9-17(10-13-18)15-19(21)14-11-16-7-5-4-6-8-16/h4-10,12-13,19H,11,14-15,21H2,1-3H3
InChIKeyKXMBDCJGALBUBN-UHFFFAOYSA-N
XLogP4.49
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,4-diphenylbutan-2-amine
CID 60820174
4-(4-methylphenyl)-1-phenylbutan-2-amine
CID 55084075
(2S,5R)-1,7-diphenylheptane-2,5-diamine
CID 126603451
4-amino-5-(4-tert-butylphenyl)pentanoic acid
CID 62961688
1-(4-tert-butylphenyl)octan-2-amine
CID 115842872
(2R,5R)-1,6-diphenylhexane-2,5-diamine;methane
CID 160625551
1-[(2-methylpropan-2-yl)oxy]-4-phenylbutan-2-amine
CID 105094062
2-amino-3-(4-tert-butylphenyl)propan-1-ol;carbamic acid
CID 174822105
(3R)-1-phenylhexan-3-amine
CID 66612996
(1-amino-3-phenylpropyl)-(4-tert-butylphenoxy)phosphinic acid
CID 46886386
1-(4-tert-butylphenyl)-4-methoxy-4-methylpentan-2-amine
CID 103025092
1-(4-tert-butylphenyl)-3-propan-2-ylsulfanylpropan-2-amine
CID 65132105

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-4-phenylbutan-2-amine?
The IUPAC name of 1-(4-tert-butylphenyl)-4-phenylbutan-2-amine (CID 63417179) is 1-(4-tert-butylphenyl)-4-phenylbutan-2-amine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-4-phenylbutan-2-amine?
The canonical SMILES for 1-(4-tert-butylphenyl)-4-phenylbutan-2-amine is CC(C)(C)c1ccc(CC(N)CCc2ccccc2)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-4-phenylbutan-2-amine?
The InChIKey is KXMBDCJGALBUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-20(2,3)18-12-9-17(10-13-18)15-19(21)14-11-16-7-5-4-6-8-16/h4-10,12-13,19H,11,14-15,21H2,1-3H3.
What are the key properties of 1-(4-tert-butylphenyl)-4-phenylbutan-2-amine?
1-(4-tert-butylphenyl)-4-phenylbutan-2-amine has a molecular weight of 281.44 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-4-phenylbutan-2-amine is sourced from PubChem (CID 63417179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).