2-[2-(4-amino-3-methylbutyl)phenyl]-N-methylaniline

C18H24N2 — CID 143832136

IUPAC2-[2-(4-amino-3-methylbutyl)phenyl]-N-methylaniline
SMILESCNc1ccccc1-c1ccccc1CCC(C)CN
InChIInChI=1S/C18H24N2/c1-14(13-19)11-12-15-7-3-4-8-16(15)17-9-5-6-10-18(17)20-2/h3-10,14,20H,11-13,19H2,1-2H3
InChIKeyXMGXXRAYDKIDEB-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.92
Rot. Bonds6

About 2-[2-(4-amino-3-methylbutyl)phenyl]-N-methylaniline

2-[2-(4-amino-3-methylbutyl)phenyl]-N-methylaniline (PubChem CID 143832136) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-[2-(4-amino-3-methylbutyl)phenyl]-N-methylaniline.

Molecular Properties

Compound Name2-[2-(4-amino-3-methylbutyl)phenyl]-N-methylaniline
PubChem CID143832136
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name2-[2-(4-amino-3-methylbutyl)phenyl]-N-methylaniline
SMILESCNc1ccccc1-c1ccccc1CCC(C)CN
InChIInChI=1S/C18H24N2/c1-14(13-19)11-12-15-7-3-4-8-16(15)17-9-5-6-10-18(17)20-2/h3-10,14,20H,11-13,19H2,1-2H3
InChIKeyXMGXXRAYDKIDEB-UHFFFAOYSA-N
XLogP3.92
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-amino-3-methylbutyl)phenyl]-N-methylaniline?
The IUPAC name of 2-[2-(4-amino-3-methylbutyl)phenyl]-N-methylaniline (CID 143832136) is 2-[2-(4-amino-3-methylbutyl)phenyl]-N-methylaniline.
What is the SMILES notation for 2-[2-(4-amino-3-methylbutyl)phenyl]-N-methylaniline?
The canonical SMILES for 2-[2-(4-amino-3-methylbutyl)phenyl]-N-methylaniline is CNc1ccccc1-c1ccccc1CCC(C)CN.
What is the InChIKey of 2-[2-(4-amino-3-methylbutyl)phenyl]-N-methylaniline?
The InChIKey is XMGXXRAYDKIDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-14(13-19)11-12-15-7-3-4-8-16(15)17-9-5-6-10-18(17)20-2/h3-10,14,20H,11-13,19H2,1-2H3.
What are the key properties of 2-[2-(4-amino-3-methylbutyl)phenyl]-N-methylaniline?
2-[2-(4-amino-3-methylbutyl)phenyl]-N-methylaniline has a molecular weight of 268.40 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-amino-3-methylbutyl)phenyl]-N-methylaniline is sourced from PubChem (CID 143832136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).