N-tert-butyl-2-methyl-2-(3-methylphenyl)propan-1-amine

C15H25N — CID 62595182

IUPACN-tert-butyl-2-methyl-2-(3-methylphenyl)propan-1-amine
SMILESCc1cccc(C(C)(C)CNC(C)(C)C)c1
InChIInChI=1S/C15H25N/c1-12-8-7-9-13(10-12)15(5,6)11-16-14(2,3)4/h7-10,16H,11H2,1-6H3
InChIKeyKOMSPLGFNNBQJC-UHFFFAOYSA-N
MW219.37 g/mol
LogP3.66
Rot. Bonds3

About N-tert-butyl-2-methyl-2-(3-methylphenyl)propan-1-amine

N-tert-butyl-2-methyl-2-(3-methylphenyl)propan-1-amine (PubChem CID 62595182) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is N-tert-butyl-2-methyl-2-(3-methylphenyl)propan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-methyl-2-(3-methylphenyl)propan-1-amine
PubChem CID62595182
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC NameN-tert-butyl-2-methyl-2-(3-methylphenyl)propan-1-amine
SMILESCc1cccc(C(C)(C)CNC(C)(C)C)c1
InChIInChI=1S/C15H25N/c1-12-8-7-9-13(10-12)15(5,6)11-16-14(2,3)4/h7-10,16H,11H2,1-6H3
InChIKeyKOMSPLGFNNBQJC-UHFFFAOYSA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-tert-butyl-2-methyl-2-(4-methylphenyl)propan-1-amine
CID 62595544
2-methyl-2-(3-methylphenyl)-N-(2-methylpropyl)propan-1-amine
CID 62595545
N-[2-methyl-2-(3-methylphenyl)propyl]carbamoyl bromide
CID 115194297
2-methyl-2-(3-methylphenyl)propan-1-amine
CID 47002400
ethyl 2-[[2-methyl-2-(3-methylphenyl)propyl]amino]acetate
CID 11334178
4-methyl-1-N-[2-methyl-2-(3-methylphenyl)propyl]benzene-1,2-diamine
CID 115125181
2-methyl-N'-[2-methyl-2-(3-methylphenyl)propyl]propane-1,3-diamine
CID 115198955
3-[[[2-methyl-2-(3-methylphenyl)propyl]amino]methyl]cyclobutan-1-amine
CID 115214425
4-[[2-methyl-2-(3-methylphenyl)propyl]amino]cyclohexan-1-ol
CID 115149642
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methyl-2-(3-methylphenyl)propan-1-amine
CID 115244454
3-fluoro-N-methyl-3-(3-methylphenyl)butan-1-amine
CID 105449357
1-(3-methylphenyl)ethane-1,1-diamine
CID 70165024

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-methyl-2-(3-methylphenyl)propan-1-amine?
The IUPAC name of N-tert-butyl-2-methyl-2-(3-methylphenyl)propan-1-amine (CID 62595182) is N-tert-butyl-2-methyl-2-(3-methylphenyl)propan-1-amine.
What is the SMILES notation for N-tert-butyl-2-methyl-2-(3-methylphenyl)propan-1-amine?
The canonical SMILES for N-tert-butyl-2-methyl-2-(3-methylphenyl)propan-1-amine is Cc1cccc(C(C)(C)CNC(C)(C)C)c1.
What is the InChIKey of N-tert-butyl-2-methyl-2-(3-methylphenyl)propan-1-amine?
The InChIKey is KOMSPLGFNNBQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-12-8-7-9-13(10-12)15(5,6)11-16-14(2,3)4/h7-10,16H,11H2,1-6H3.
What are the key properties of N-tert-butyl-2-methyl-2-(3-methylphenyl)propan-1-amine?
N-tert-butyl-2-methyl-2-(3-methylphenyl)propan-1-amine has a molecular weight of 219.37 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-methyl-2-(3-methylphenyl)propan-1-amine is sourced from PubChem (CID 62595182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).