2-(4-tert-butylphenyl)-3-phenylbutan-1-amine

C20H27N — CID 82140242

IUPAC2-(4-tert-butylphenyl)-3-phenylbutan-1-amine
SMILESCC(c1ccccc1)C(CN)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H27N/c1-15(16-8-6-5-7-9-16)19(14-21)17-10-12-18(13-11-17)20(2,3)4/h5-13,15,19H,14,21H2,1-4H3
InChIKeyWNCIIHFEIJITMO-UHFFFAOYSA-N
MW281.44 g/mol
LogP4.83
Rot. Bonds4

About 2-(4-tert-butylphenyl)-3-phenylbutan-1-amine

2-(4-tert-butylphenyl)-3-phenylbutan-1-amine (PubChem CID 82140242) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-3-phenylbutan-1-amine.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-3-phenylbutan-1-amine
PubChem CID82140242
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC Name2-(4-tert-butylphenyl)-3-phenylbutan-1-amine
SMILESCC(c1ccccc1)C(CN)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H27N/c1-15(16-8-6-5-7-9-16)19(14-21)17-10-12-18(13-11-17)20(2,3)4/h5-13,15,19H,14,21H2,1-4H3
InChIKeyWNCIIHFEIJITMO-UHFFFAOYSA-N
XLogP4.83
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-phenyl-2-(4-propan-2-ylphenyl)butan-1-amine
CID 82140241
2-fluoro-3-phenylbutan-1-amine
CID 126843894
(3S)-2-methyl-3-phenylbutan-1-amine
CID 143116656
1-(4-tert-butylphenyl)-2-propan-2-ylpropane-1,3-diamine
CID 116945713
4-(4-ethylphenyl)-3-phenylpentan-1-amine
CID 57150711
2,3,3-triphenylpropan-1-amine
CID 11781172
3-amino-1-(4-tert-butylphenyl)-2-pyridin-3-ylpropan-1-ol
CID 80522541
2-(aminomethyl)-3-phenylbutanoic acid
CID 69267267
2-phenylpentane-1,3-diamine
CID 57298875
2-(4-tert-butylphenyl)-2-fluoro-2-phenylethanamine
CID 115918107
(1R)-1-(4-tert-butylphenyl)-2-phenylselanylethanol
CID 168868530
1-amino-4-methyl-2-phenylheptan-3-ol
CID 65186108

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-3-phenylbutan-1-amine?
The IUPAC name of 2-(4-tert-butylphenyl)-3-phenylbutan-1-amine (CID 82140242) is 2-(4-tert-butylphenyl)-3-phenylbutan-1-amine.
What is the SMILES notation for 2-(4-tert-butylphenyl)-3-phenylbutan-1-amine?
The canonical SMILES for 2-(4-tert-butylphenyl)-3-phenylbutan-1-amine is CC(c1ccccc1)C(CN)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-3-phenylbutan-1-amine?
The InChIKey is WNCIIHFEIJITMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-15(16-8-6-5-7-9-16)19(14-21)17-10-12-18(13-11-17)20(2,3)4/h5-13,15,19H,14,21H2,1-4H3.
What are the key properties of 2-(4-tert-butylphenyl)-3-phenylbutan-1-amine?
2-(4-tert-butylphenyl)-3-phenylbutan-1-amine has a molecular weight of 281.44 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-3-phenylbutan-1-amine is sourced from PubChem (CID 82140242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).