N-[(5-tert-butyl-2-methylphenyl)methyl]-2-methylpropan-2-amine

C16H27N — CID 82129150

IUPACN-[(5-tert-butyl-2-methylphenyl)methyl]-2-methylpropan-2-amine
SMILESCc1ccc(C(C)(C)C)cc1CNC(C)(C)C
InChIInChI=1S/C16H27N/c1-12-8-9-14(15(2,3)4)10-13(12)11-17-16(5,6)7/h8-10,17H,11H2,1-7H3
InChIKeyKZWQHTLZFVXWAZ-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.18
Rot. Bonds2

About N-[(5-tert-butyl-2-methylphenyl)methyl]-2-methylpropan-2-amine

N-[(5-tert-butyl-2-methylphenyl)methyl]-2-methylpropan-2-amine (PubChem CID 82129150) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is N-[(5-tert-butyl-2-methylphenyl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(5-tert-butyl-2-methylphenyl)methyl]-2-methylpropan-2-amine
PubChem CID82129150
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC NameN-[(5-tert-butyl-2-methylphenyl)methyl]-2-methylpropan-2-amine
SMILESCc1ccc(C(C)(C)C)cc1CNC(C)(C)C
InChIInChI=1S/C16H27N/c1-12-8-9-14(15(2,3)4)10-13(12)11-17-16(5,6)7/h8-10,17H,11H2,1-7H3
InChIKeyKZWQHTLZFVXWAZ-UHFFFAOYSA-N
XLogP4.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-tert-butyl-2-methylphenyl)-N-methylmethanamine
CID 82125631
N-[(5-tert-butyl-2-methylphenyl)methyl]cyclohexanamine
CID 82132708
4-tert-butyl-2-(chloromethyl)-1-methylbenzene
CID 524344
2-(5-tert-butyl-2-methylphenyl)-N-methylethanamine
CID 82126383
2-[(5-tert-butyl-2-methylphenyl)methylamino]acetic acid
CID 82496644
N-[(2,4-dimethylphenyl)methyl]-2-methylpropan-2-amine
CID 16774947
methyl 3-[(5-tert-butyl-2-methylphenyl)methylamino]propanoate
CID 115232370
N'-[(5-tert-butyl-2-methylphenyl)methyl]-2-ethylpropane-1,3-diamine
CID 115251439
[2-(5-tert-butyl-2-methylphenyl)ethylamino]methanol
CID 115229280
N'-[2-(5-tert-butyl-2-methylphenyl)ethyl]-N-methylmethanediamine
CID 115227143
methyl 2-(5-tert-butyl-2-methylphenyl)acetate
CID 82127657
2-[2-(5-tert-butyl-2-methylphenyl)ethylamino]acetonitrile
CID 115131196

Frequently Asked Questions

What is the IUPAC name of N-[(5-tert-butyl-2-methylphenyl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(5-tert-butyl-2-methylphenyl)methyl]-2-methylpropan-2-amine (CID 82129150) is N-[(5-tert-butyl-2-methylphenyl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(5-tert-butyl-2-methylphenyl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(5-tert-butyl-2-methylphenyl)methyl]-2-methylpropan-2-amine is Cc1ccc(C(C)(C)C)cc1CNC(C)(C)C.
What is the InChIKey of N-[(5-tert-butyl-2-methylphenyl)methyl]-2-methylpropan-2-amine?
The InChIKey is KZWQHTLZFVXWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-12-8-9-14(15(2,3)4)10-13(12)11-17-16(5,6)7/h8-10,17H,11H2,1-7H3.
What are the key properties of N-[(5-tert-butyl-2-methylphenyl)methyl]-2-methylpropan-2-amine?
N-[(5-tert-butyl-2-methylphenyl)methyl]-2-methylpropan-2-amine has a molecular weight of 233.40 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-tert-butyl-2-methylphenyl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 82129150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).