N-tert-butyl-2-(2-methylphenyl)pentan-1-amine

C16H27N — CID 79420694

IUPACN-tert-butyl-2-(2-methylphenyl)pentan-1-amine
SMILESCCCC(CNC(C)(C)C)c1ccccc1C
InChIInChI=1S/C16H27N/c1-6-9-14(12-17-16(3,4)5)15-11-8-7-10-13(15)2/h7-8,10-11,14,17H,6,9,12H2,1-5H3
InChIKeyLXSQDAUJHZUBMJ-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.27
Rot. Bonds5

About N-tert-butyl-2-(2-methylphenyl)pentan-1-amine

N-tert-butyl-2-(2-methylphenyl)pentan-1-amine (PubChem CID 79420694) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is N-tert-butyl-2-(2-methylphenyl)pentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-(2-methylphenyl)pentan-1-amine
PubChem CID79420694
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC NameN-tert-butyl-2-(2-methylphenyl)pentan-1-amine
SMILESCCCC(CNC(C)(C)C)c1ccccc1C
InChIInChI=1S/C16H27N/c1-6-9-14(12-17-16(3,4)5)15-11-8-7-10-13(15)2/h7-8,10-11,14,17H,6,9,12H2,1-5H3
InChIKeyLXSQDAUJHZUBMJ-UHFFFAOYSA-N
XLogP4.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-tert-butyl-5-ethoxy-2-(2-methylphenyl)pentan-1-amine
CID 79420861
N-tert-butyl-4-methyl-2-(2-methylphenyl)pentan-1-amine
CID 79421586
N-tert-butyl-2-(2-methylphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 79424138
N-[3-(furan-2-yl)-2-(2-methylphenyl)propyl]-2-methylpropan-2-amine
CID 79421182
N-[3-(5-bromothiophen-2-yl)-2-(2-methylphenyl)propyl]-2-methylpropan-2-amine
CID 79424142
2-methyl-N-[2-(2-methylphenyl)-3-(1-methylpyrazol-3-yl)propyl]propan-2-amine
CID 82870120
2-methyl-N-[2-(2-methylphenyl)-3-(1,3-thiazol-5-yl)propyl]propan-2-amine
CID 115979445
N-ethyl-2-(2-methylphenyl)hexan-1-amine
CID 79421796
1-methyl-2-(7-methylnonan-4-yl)benzene
CID 143620943
2-(2-bromophenyl)-N-tert-butyl-4-propoxybutan-1-amine
CID 106457208
2-(2-methylphenyl)-N-(2-methylpropyl)hexan-1-amine
CID 79421507
N-methyl-2-(2-methylphenyl)-4-[(2-methylpropan-2-yl)oxy]butan-1-amine
CID 112591568

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(2-methylphenyl)pentan-1-amine?
The IUPAC name of N-tert-butyl-2-(2-methylphenyl)pentan-1-amine (CID 79420694) is N-tert-butyl-2-(2-methylphenyl)pentan-1-amine.
What is the SMILES notation for N-tert-butyl-2-(2-methylphenyl)pentan-1-amine?
The canonical SMILES for N-tert-butyl-2-(2-methylphenyl)pentan-1-amine is CCCC(CNC(C)(C)C)c1ccccc1C.
What is the InChIKey of N-tert-butyl-2-(2-methylphenyl)pentan-1-amine?
The InChIKey is LXSQDAUJHZUBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-6-9-14(12-17-16(3,4)5)15-11-8-7-10-13(15)2/h7-8,10-11,14,17H,6,9,12H2,1-5H3.
What are the key properties of N-tert-butyl-2-(2-methylphenyl)pentan-1-amine?
N-tert-butyl-2-(2-methylphenyl)pentan-1-amine has a molecular weight of 233.40 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(2-methylphenyl)pentan-1-amine is sourced from PubChem (CID 79420694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).