N-[2-[2-(aminomethyl)phenyl]ethyl]-N-propan-2-ylpropan-2-amine

C15H26N2 — CID 173326782

IUPACN-[2-[2-(aminomethyl)phenyl]ethyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(CCc1ccccc1CN)C(C)C
InChIInChI=1S/C15H26N2/c1-12(2)17(13(3)4)10-9-14-7-5-6-8-15(14)11-16/h5-8,12-13H,9-11,16H2,1-4H3
InChIKeyLJOVBKHVSZUTED-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.81
Rot. Bonds6

About N-[2-[2-(aminomethyl)phenyl]ethyl]-N-propan-2-ylpropan-2-amine

N-[2-[2-(aminomethyl)phenyl]ethyl]-N-propan-2-ylpropan-2-amine (PubChem CID 173326782) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N-[2-[2-(aminomethyl)phenyl]ethyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[2-(aminomethyl)phenyl]ethyl]-N-propan-2-ylpropan-2-amine
PubChem CID173326782
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN-[2-[2-(aminomethyl)phenyl]ethyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(CCc1ccccc1CN)C(C)C
InChIInChI=1S/C15H26N2/c1-12(2)17(13(3)4)10-9-14-7-5-6-8-15(14)11-16/h5-8,12-13H,9-11,16H2,1-4H3
InChIKeyLJOVBKHVSZUTED-UHFFFAOYSA-N
XLogP2.81
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(aminomethyl)phenyl]ethyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[2-[2-(aminomethyl)phenyl]ethyl]-N-propan-2-ylpropan-2-amine (CID 173326782) is N-[2-[2-(aminomethyl)phenyl]ethyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[2-[2-(aminomethyl)phenyl]ethyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[2-[2-(aminomethyl)phenyl]ethyl]-N-propan-2-ylpropan-2-amine is CC(C)N(CCc1ccccc1CN)C(C)C.
What is the InChIKey of N-[2-[2-(aminomethyl)phenyl]ethyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is LJOVBKHVSZUTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-12(2)17(13(3)4)10-9-14-7-5-6-8-15(14)11-16/h5-8,12-13H,9-11,16H2,1-4H3.
What are the key properties of N-[2-[2-(aminomethyl)phenyl]ethyl]-N-propan-2-ylpropan-2-amine?
N-[2-[2-(aminomethyl)phenyl]ethyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 234.39 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(aminomethyl)phenyl]ethyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 173326782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).