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

C15H26N2 — CID 117039966

IUPAC2-N-[(4-tert-butylphenyl)methyl]-2-N-methylpropane-1,2-diamine
SMILESCC(CN)N(C)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H26N2/c1-12(10-16)17(5)11-13-6-8-14(9-7-13)15(2,3)4/h6-9,12H,10-11,16H2,1-5H3
InChIKeyGMMFXLIKXXWZCB-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.76
Rot. Bonds4

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

2-N-[(4-tert-butylphenyl)methyl]-2-N-methylpropane-1,2-diamine (PubChem CID 117039966) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 2-N-[(4-tert-butylphenyl)methyl]-2-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(4-tert-butylphenyl)methyl]-2-N-methylpropane-1,2-diamine
PubChem CID117039966
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name2-N-[(4-tert-butylphenyl)methyl]-2-N-methylpropane-1,2-diamine
SMILESCC(CN)N(C)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H26N2/c1-12(10-16)17(5)11-13-6-8-14(9-7-13)15(2,3)4/h6-9,12H,10-11,16H2,1-5H3
InChIKeyGMMFXLIKXXWZCB-UHFFFAOYSA-N
XLogP2.76
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-phenylcyclohexanamine
CID 16622
Benzhydrylpiperazine
CID 70048
Isopropylbenzylamine
CID 66024
1-(4-Methylphenyl)ethylamine
CID 577386
1-Methyl-3-phenylpiperazine
CID 2760009
1,2-Ethanediamine, N1,N1-dimethyl-N2-(phenylmethyl)-
CID 66029
N-Benzylethylenediamine
CID 77801
N-Methyl-1-phenylethylamine
CID 577403
Isobutyl-(4-methyl-benzyl)-piperidin-4-yl-amine
CID 44411213
N-Butyl-alpha-methylbenzenemethanamine
CID 21518
N,N'-Bis(1-phenylethyl)diaminoethane
CID 22679
1-benzyl-N-methylpyrrolidin-3-amine
CID 13787478

Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-tert-butylphenyl)methyl]-2-N-methylpropane-1,2-diamine?
The IUPAC name of 2-N-[(4-tert-butylphenyl)methyl]-2-N-methylpropane-1,2-diamine (CID 117039966) is 2-N-[(4-tert-butylphenyl)methyl]-2-N-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[(4-tert-butylphenyl)methyl]-2-N-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-[(4-tert-butylphenyl)methyl]-2-N-methylpropane-1,2-diamine is CC(CN)N(C)Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-N-[(4-tert-butylphenyl)methyl]-2-N-methylpropane-1,2-diamine?
The InChIKey is GMMFXLIKXXWZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-12(10-16)17(5)11-13-6-8-14(9-7-13)15(2,3)4/h6-9,12H,10-11,16H2,1-5H3.
What are the key properties of 2-N-[(4-tert-butylphenyl)methyl]-2-N-methylpropane-1,2-diamine?
2-N-[(4-tert-butylphenyl)methyl]-2-N-methylpropane-1,2-diamine has a molecular weight of 234.39 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-tert-butylphenyl)methyl]-2-N-methylpropane-1,2-diamine is sourced from PubChem (CID 117039966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).