1-(4-tert-butylphenyl)propane-1,2-diamine

C13H22N2 — CID 20546388

IUPAC1-(4-tert-butylphenyl)propane-1,2-diamine
SMILESCC(N)C(N)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C13H22N2/c1-9(14)12(15)10-5-7-11(8-6-10)13(2,3)4/h5-9,12H,14-15H2,1-4H3
InChIKeyWSZLMXYRVBQVGS-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.33
Rot. Bonds2

About 1-(4-tert-butylphenyl)propane-1,2-diamine

1-(4-tert-butylphenyl)propane-1,2-diamine (PubChem CID 20546388) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)propane-1,2-diamine
PubChem CID20546388
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name1-(4-tert-butylphenyl)propane-1,2-diamine
SMILESCC(N)C(N)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C13H22N2/c1-9(14)12(15)10-5-7-11(8-6-10)13(2,3)4/h5-9,12H,14-15H2,1-4H3
InChIKeyWSZLMXYRVBQVGS-UHFFFAOYSA-N
XLogP2.33
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(4-tert-butylphenyl)-2,2-difluoroethanamine;hydrochloride
CID 171246982
1-(4-tert-butylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine
CID 103309519
(1R,2S)-1-amino-1-(4-tert-butylphenyl)-3,3-dimethylbutan-2-ol
CID 171161092
1-(4-tert-butylphenyl)-2-propan-2-ylpropane-1,3-diamine
CID 116945713
1-(4-tert-butylphenyl)-1-N-methylpropane-1,2-diamine
CID 116948029
4-(1,2-diaminopropyl)phenol
CID 24841393
(1S,2R)-1-amino-1-(4-tert-butylphenyl)-4-methylpentan-2-ol;hydrochloride
CID 171162521
1-tert-butyl-4-[2-(4-tert-butylphenyl)-1,2-difluoroethyl]benzene
CID 58671895
(1R)-1-(4-tert-butylphenyl)ethanol
CID 6990572
(1R,2S)-2-amino-2-(4-tert-butylphenyl)-1-cyclopentylethanol
CID 171162507
(2R)-2-amino-2-(4-tert-butylphenyl)ethanol
CID 55278122
(1S)-2-methyl-1-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 71134587

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)propane-1,2-diamine?
The IUPAC name of 1-(4-tert-butylphenyl)propane-1,2-diamine (CID 20546388) is 1-(4-tert-butylphenyl)propane-1,2-diamine.
What is the SMILES notation for 1-(4-tert-butylphenyl)propane-1,2-diamine?
The canonical SMILES for 1-(4-tert-butylphenyl)propane-1,2-diamine is CC(N)C(N)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)propane-1,2-diamine?
The InChIKey is WSZLMXYRVBQVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-9(14)12(15)10-5-7-11(8-6-10)13(2,3)4/h5-9,12H,14-15H2,1-4H3.
What are the key properties of 1-(4-tert-butylphenyl)propane-1,2-diamine?
1-(4-tert-butylphenyl)propane-1,2-diamine has a molecular weight of 206.33 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)propane-1,2-diamine is sourced from PubChem (CID 20546388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).