1-(4-tert-butylphenyl)-1-N-methylpropane-1,2-diamine

C14H24N2 — CID 116948029

IUPAC1-(4-tert-butylphenyl)-1-N-methylpropane-1,2-diamine
SMILESCNC(c1ccc(C(C)(C)C)cc1)C(C)N
InChIInChI=1S/C14H24N2/c1-10(15)13(16-5)11-6-8-12(9-7-11)14(2,3)4/h6-10,13,16H,15H2,1-5H3
InChIKeyBERWAAHECQUVOX-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.59
Rot. Bonds3

About 1-(4-tert-butylphenyl)-1-N-methylpropane-1,2-diamine

1-(4-tert-butylphenyl)-1-N-methylpropane-1,2-diamine (PubChem CID 116948029) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-1-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-1-N-methylpropane-1,2-diamine
PubChem CID116948029
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name1-(4-tert-butylphenyl)-1-N-methylpropane-1,2-diamine
SMILESCNC(c1ccc(C(C)(C)C)cc1)C(C)N
InChIInChI=1S/C14H24N2/c1-10(15)13(16-5)11-6-8-12(9-7-11)14(2,3)4/h6-10,13,16H,15H2,1-5H3
InChIKeyBERWAAHECQUVOX-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethylphenyl)-1-N-methylpropane-1,2-diamine
CID 116948027
1-(4-tert-butyl-2-methylphenyl)-1-N-methylpropane-1,2-diamine
CID 116948125
1-(4-tert-butylphenyl)propane-1,2-diamine
CID 20546388
1-(4-tert-butylphenyl)-2-ethoxy-N-methylbutan-1-amine
CID 116716499
1-(4-tert-butylphenyl)-2-methoxy-N-methylpentan-1-amine
CID 116718735
N,2-dimethyl-1-[4-(2-methylbutan-2-yl)phenyl]pentan-1-amine
CID 66258012
3-amino-3-(4-tert-butylphenyl)-2-(methylamino)propanoic acid
CID 116946848
2-amino-2-(4-tert-butylphenyl)-N-methylacetamide
CID 83535922
(2R)-2-amino-N-[1-(4-tert-butylphenyl)ethyl]-3,3-dimethylbutanamide
CID 103928603
1-(3-bromophenyl)-1-N-methylpropane-1,2-diamine
CID 116948153
(1R)-1-(4-tert-butylphenyl)ethanol
CID 6990572
1-(4-tert-butylphenyl)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine
CID 79052895

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-1-N-methylpropane-1,2-diamine?
The IUPAC name of 1-(4-tert-butylphenyl)-1-N-methylpropane-1,2-diamine (CID 116948029) is 1-(4-tert-butylphenyl)-1-N-methylpropane-1,2-diamine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-1-N-methylpropane-1,2-diamine?
The canonical SMILES for 1-(4-tert-butylphenyl)-1-N-methylpropane-1,2-diamine is CNC(c1ccc(C(C)(C)C)cc1)C(C)N.
What is the InChIKey of 1-(4-tert-butylphenyl)-1-N-methylpropane-1,2-diamine?
The InChIKey is BERWAAHECQUVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-10(15)13(16-5)11-6-8-12(9-7-11)14(2,3)4/h6-10,13,16H,15H2,1-5H3.
What are the key properties of 1-(4-tert-butylphenyl)-1-N-methylpropane-1,2-diamine?
1-(4-tert-butylphenyl)-1-N-methylpropane-1,2-diamine has a molecular weight of 220.36 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-1-N-methylpropane-1,2-diamine is sourced from PubChem (CID 116948029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).