N-[2-[4-(aminomethyl)phenoxy]ethyl]-N,3,3-trimethylbutan-2-amine

C16H28N2O — CID 55006989

IUPACN-[2-[4-(aminomethyl)phenoxy]ethyl]-N,3,3-trimethylbutan-2-amine
SMILESCC(N(C)CCOc1ccc(CN)cc1)C(C)(C)C
InChIInChI=1S/C16H28N2O/c1-13(16(2,3)4)18(5)10-11-19-15-8-6-14(12-17)7-9-15/h6-9,13H,10-12,17H2,1-5H3
InChIKeyAGWGTIQAPNXHIS-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.89
Rot. Bonds6

About N-[2-[4-(aminomethyl)phenoxy]ethyl]-N,3,3-trimethylbutan-2-amine

N-[2-[4-(aminomethyl)phenoxy]ethyl]-N,3,3-trimethylbutan-2-amine (PubChem CID 55006989) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N-[2-[4-(aminomethyl)phenoxy]ethyl]-N,3,3-trimethylbutan-2-amine.

Molecular Properties

Compound NameN-[2-[4-(aminomethyl)phenoxy]ethyl]-N,3,3-trimethylbutan-2-amine
PubChem CID55006989
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN-[2-[4-(aminomethyl)phenoxy]ethyl]-N,3,3-trimethylbutan-2-amine
SMILESCC(N(C)CCOc1ccc(CN)cc1)C(C)(C)C
InChIInChI=1S/C16H28N2O/c1-13(16(2,3)4)18(5)10-11-19-15-8-6-14(12-17)7-9-15/h6-9,13H,10-12,17H2,1-5H3
InChIKeyAGWGTIQAPNXHIS-UHFFFAOYSA-N
XLogP2.89
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[3,3-dimethylbutan-2-yl(methyl)amino]ethoxy]benzonitrile
CID 54942841
N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-methylpropan-2-amine
CID 43253419
2-methyl-N-[[4-[2-[methyl(propan-2-yl)amino]ethoxy]phenyl]methyl]propan-2-amine
CID 62424640
N-[2-[4-(aminomethyl)phenoxy]ethyl]-N-methylcyclopropanamine
CID 43264634
2-[2-[4-(aminomethyl)phenoxy]ethyl-methylamino]acetamide
CID 43373897
2-[2-[4-(aminomethyl)phenoxy]ethoxy]-N,N-dimethylethanamine
CID 62460192
N-[2-[4-(aminomethyl)phenoxy]ethyl]-N-methylcyclopentanamine
CID 43266852
N'-[3-[4-(aminomethyl)phenoxy]propyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63694110
2-[2-[4-(aminomethyl)phenoxy]ethyl-methylamino]-N-methylacetamide
CID 43374648
[4-[4-(3-methylbutoxy)phenyl]phenyl]methanamine
CID 43174546
[4-[2-[2-[2-[4-(aminomethyl)phenoxy]ethoxy]ethoxy]ethoxy]phenyl]methanamine
CID 46222769
4-[4-(aminomethyl)phenoxy]-N,N-diethylbutan-1-amine
CID 21465327

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(aminomethyl)phenoxy]ethyl]-N,3,3-trimethylbutan-2-amine?
The IUPAC name of N-[2-[4-(aminomethyl)phenoxy]ethyl]-N,3,3-trimethylbutan-2-amine (CID 55006989) is N-[2-[4-(aminomethyl)phenoxy]ethyl]-N,3,3-trimethylbutan-2-amine.
What is the SMILES notation for N-[2-[4-(aminomethyl)phenoxy]ethyl]-N,3,3-trimethylbutan-2-amine?
The canonical SMILES for N-[2-[4-(aminomethyl)phenoxy]ethyl]-N,3,3-trimethylbutan-2-amine is CC(N(C)CCOc1ccc(CN)cc1)C(C)(C)C.
What is the InChIKey of N-[2-[4-(aminomethyl)phenoxy]ethyl]-N,3,3-trimethylbutan-2-amine?
The InChIKey is AGWGTIQAPNXHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-13(16(2,3)4)18(5)10-11-19-15-8-6-14(12-17)7-9-15/h6-9,13H,10-12,17H2,1-5H3.
What are the key properties of N-[2-[4-(aminomethyl)phenoxy]ethyl]-N,3,3-trimethylbutan-2-amine?
N-[2-[4-(aminomethyl)phenoxy]ethyl]-N,3,3-trimethylbutan-2-amine has a molecular weight of 264.41 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(aminomethyl)phenoxy]ethyl]-N,3,3-trimethylbutan-2-amine is sourced from PubChem (CID 55006989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).