1-N-(4-tert-butyl-2-methylphenyl)propane-1,2-diamine

C14H24N2 — CID 115196315

IUPAC1-N-(4-tert-butyl-2-methylphenyl)propane-1,2-diamine
SMILESCc1cc(C(C)(C)C)ccc1NCC(C)N
InChIInChI=1S/C14H24N2/c1-10-8-12(14(3,4)5)6-7-13(10)16-9-11(2)15/h6-8,11,16H,9,15H2,1-5H3
InChIKeyPTFNQGUIQDVKJX-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.05
Rot. Bonds3

About 1-N-(4-tert-butyl-2-methylphenyl)propane-1,2-diamine

1-N-(4-tert-butyl-2-methylphenyl)propane-1,2-diamine (PubChem CID 115196315) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 1-N-(4-tert-butyl-2-methylphenyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-(4-tert-butyl-2-methylphenyl)propane-1,2-diamine
PubChem CID115196315
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name1-N-(4-tert-butyl-2-methylphenyl)propane-1,2-diamine
SMILESCc1cc(C(C)(C)C)ccc1NCC(C)N
InChIInChI=1S/C14H24N2/c1-10-8-12(14(3,4)5)6-7-13(10)16-9-11(2)15/h6-8,11,16H,9,15H2,1-5H3
InChIKeyPTFNQGUIQDVKJX-UHFFFAOYSA-N
XLogP3.05
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(5-tert-butyl-2-methoxyphenyl)propane-1,2-diamine
CID 115196249
2-[(4-tert-butyl-2-methylanilino)methyl]-3-methylbutanenitrile
CID 115254278
1-N-(2,3,4-trimethylphenyl)propane-1,2-diamine
CID 115196344
N-(bromomethyl)-4-tert-butyl-2-methylaniline
CID 115261604
1-N-[2-(5-tert-butyl-2-methylphenyl)ethyl]propane-1,2-diamine
CID 115196764
3-N-(4-tert-butyl-2-methylphenyl)-3-methylbutane-1,3-diamine
CID 115134478
1-N-(4-methoxy-2,5-dimethylphenyl)propane-1,2-diamine
CID 115196260
3-(4-tert-butyl-2-methylanilino)propane-1-thiol
CID 115224636
1-N-(3,4-dimethylphenyl)propane-1,2-diamine
CID 83695989
2-amino-N-(4-tert-butyl-2-methylphenyl)acetamide
CID 82494146
2-(4-tert-butyl-2-methylanilino)-2-methylpropan-1-ol
CID 115133167
2-amino-N-[(4-tert-butyl-2-methylphenyl)methyl]propanamide
CID 115152398

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-tert-butyl-2-methylphenyl)propane-1,2-diamine?
The IUPAC name of 1-N-(4-tert-butyl-2-methylphenyl)propane-1,2-diamine (CID 115196315) is 1-N-(4-tert-butyl-2-methylphenyl)propane-1,2-diamine.
What is the SMILES notation for 1-N-(4-tert-butyl-2-methylphenyl)propane-1,2-diamine?
The canonical SMILES for 1-N-(4-tert-butyl-2-methylphenyl)propane-1,2-diamine is Cc1cc(C(C)(C)C)ccc1NCC(C)N.
What is the InChIKey of 1-N-(4-tert-butyl-2-methylphenyl)propane-1,2-diamine?
The InChIKey is PTFNQGUIQDVKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-10-8-12(14(3,4)5)6-7-13(10)16-9-11(2)15/h6-8,11,16H,9,15H2,1-5H3.
What are the key properties of 1-N-(4-tert-butyl-2-methylphenyl)propane-1,2-diamine?
1-N-(4-tert-butyl-2-methylphenyl)propane-1,2-diamine has a molecular weight of 220.36 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-tert-butyl-2-methylphenyl)propane-1,2-diamine is sourced from PubChem (CID 115196315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).