N,2,3-trimethyl-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]butan-1-amine

C17H29NO — CID 112519557

IUPACN,2,3-trimethyl-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]butan-1-amine
SMILESCNCC(C)(c1ccc(OC(C)(C)C)cc1)C(C)C
InChIInChI=1S/C17H29NO/c1-13(2)17(6,12-18-7)14-8-10-15(11-9-14)19-16(3,4)5/h8-11,13,18H,12H2,1-7H3
InChIKeyQOCDZBHEUMOCQW-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.00
Rot. Bonds5

About N,2,3-trimethyl-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]butan-1-amine

N,2,3-trimethyl-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]butan-1-amine (PubChem CID 112519557) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is N,2,3-trimethyl-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]butan-1-amine.

Molecular Properties

Compound NameN,2,3-trimethyl-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]butan-1-amine
PubChem CID112519557
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC NameN,2,3-trimethyl-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]butan-1-amine
SMILESCNCC(C)(c1ccc(OC(C)(C)C)cc1)C(C)C
InChIInChI=1S/C17H29NO/c1-13(2)17(6,12-18-7)14-8-10-15(11-9-14)19-16(3,4)5/h8-11,13,18H,12H2,1-7H3
InChIKeyQOCDZBHEUMOCQW-UHFFFAOYSA-N
XLogP4.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,2,3-trimethyl-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]butan-1-amine?
The IUPAC name of N,2,3-trimethyl-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]butan-1-amine (CID 112519557) is N,2,3-trimethyl-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]butan-1-amine.
What is the SMILES notation for N,2,3-trimethyl-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]butan-1-amine?
The canonical SMILES for N,2,3-trimethyl-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]butan-1-amine is CNCC(C)(c1ccc(OC(C)(C)C)cc1)C(C)C.
What is the InChIKey of N,2,3-trimethyl-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]butan-1-amine?
The InChIKey is QOCDZBHEUMOCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-13(2)17(6,12-18-7)14-8-10-15(11-9-14)19-16(3,4)5/h8-11,13,18H,12H2,1-7H3.
What are the key properties of N,2,3-trimethyl-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]butan-1-amine?
N,2,3-trimethyl-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]butan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,3-trimethyl-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]butan-1-amine is sourced from PubChem (CID 112519557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).