N-butan-2-yl-2-methyl-2-(4-methylphenyl)propan-1-amine

C15H25N — CID 115716554

IUPACN-butan-2-yl-2-methyl-2-(4-methylphenyl)propan-1-amine
SMILESCCC(C)NCC(C)(C)c1ccc(C)cc1
InChIInChI=1S/C15H25N/c1-6-13(3)16-11-15(4,5)14-9-7-12(2)8-10-14/h7-10,13,16H,6,11H2,1-5H3
InChIKeyRHLBQUMUTWIQCP-UHFFFAOYSA-N
MW219.37 g/mol
LogP3.66
Rot. Bonds5

About N-butan-2-yl-2-methyl-2-(4-methylphenyl)propan-1-amine

N-butan-2-yl-2-methyl-2-(4-methylphenyl)propan-1-amine (PubChem CID 115716554) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is N-butan-2-yl-2-methyl-2-(4-methylphenyl)propan-1-amine.

Molecular Properties

Compound NameN-butan-2-yl-2-methyl-2-(4-methylphenyl)propan-1-amine
PubChem CID115716554
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC NameN-butan-2-yl-2-methyl-2-(4-methylphenyl)propan-1-amine
SMILESCCC(C)NCC(C)(C)c1ccc(C)cc1
InChIInChI=1S/C15H25N/c1-6-13(3)16-11-15(4,5)14-9-7-12(2)8-10-14/h7-10,13,16H,6,11H2,1-5H3
InChIKeyRHLBQUMUTWIQCP-UHFFFAOYSA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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

2-[[2-methyl-2-(4-methylphenyl)propyl]amino]propanenitrile
CID 115130612
1-butan-2-yl-2-methyl-3-[2-methyl-2-(4-methylphenyl)propyl]guanidine
CID 110945718
N-butan-2-yl-2-methyl-2-(2-methylphenyl)propan-1-amine
CID 115715576
N-tert-butyl-2-methyl-2-(4-methylphenyl)propan-1-amine
CID 62595544
(2R)-2-[(2-methyl-2-phenylpropyl)amino]propan-1-ol
CID 103912755
2-methyl-2-(4-methylphenyl)propan-1-amine;propane
CID 143028408
2-[[(2R)-butan-2-yl]amino]-1,1-bis(4-chlorophenyl)ethanol
CID 1487207
1-[2-methyl-2-(4-methylphenyl)propyl]-3-(2-methylpropyl)urea
CID 113214142
N'-[2-methyl-2-(4-methylphenyl)propyl]-2-propan-2-ylpropane-1,3-diamine
CID 115252631
[2-methyl-2-(4-methylphenyl)propyl]carbamoylazanide;ruthenium(1+)
CID 142973882
2-(3,5-dimethylphenyl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62596445
ethyl 2-(butan-2-ylamino)-2-(4-methylphenyl)propanoate
CID 54907922

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-methyl-2-(4-methylphenyl)propan-1-amine?
The IUPAC name of N-butan-2-yl-2-methyl-2-(4-methylphenyl)propan-1-amine (CID 115716554) is N-butan-2-yl-2-methyl-2-(4-methylphenyl)propan-1-amine.
What is the SMILES notation for N-butan-2-yl-2-methyl-2-(4-methylphenyl)propan-1-amine?
The canonical SMILES for N-butan-2-yl-2-methyl-2-(4-methylphenyl)propan-1-amine is CCC(C)NCC(C)(C)c1ccc(C)cc1.
What is the InChIKey of N-butan-2-yl-2-methyl-2-(4-methylphenyl)propan-1-amine?
The InChIKey is RHLBQUMUTWIQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-6-13(3)16-11-15(4,5)14-9-7-12(2)8-10-14/h7-10,13,16H,6,11H2,1-5H3.
What are the key properties of N-butan-2-yl-2-methyl-2-(4-methylphenyl)propan-1-amine?
N-butan-2-yl-2-methyl-2-(4-methylphenyl)propan-1-amine has a molecular weight of 219.37 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-methyl-2-(4-methylphenyl)propan-1-amine is sourced from PubChem (CID 115716554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).