4-[3-[(1R)-1-aminoethyl]phenoxy]-N-methyl-N-propan-2-ylbutan-2-amine

C16H28N2O — CID 134331280

IUPAC4-[3-[(1R)-1-aminoethyl]phenoxy]-N-methyl-N-propan-2-ylbutan-2-amine
SMILESCC(C)N(C)C(C)CCOc1cccc([C@@H](C)N)c1
InChIInChI=1S/C16H28N2O/c1-12(2)18(5)13(3)9-10-19-16-8-6-7-15(11-16)14(4)17/h6-8,11-14H,9-10,17H2,1-5H3/t13?,14-/m1/s1
InChIKeyFWUUQNCLWHBTAQ-ARLHGKGLSA-N
MW264.41 g/mol
LogP3.20
Rot. Bonds7

About 4-[3-[(1R)-1-aminoethyl]phenoxy]-N-methyl-N-propan-2-ylbutan-2-amine

4-[3-[(1R)-1-aminoethyl]phenoxy]-N-methyl-N-propan-2-ylbutan-2-amine (PubChem CID 134331280) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 4-[3-[(1R)-1-aminoethyl]phenoxy]-N-methyl-N-propan-2-ylbutan-2-amine.

Molecular Properties

Compound Name4-[3-[(1R)-1-aminoethyl]phenoxy]-N-methyl-N-propan-2-ylbutan-2-amine
PubChem CID134331280
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name4-[3-[(1R)-1-aminoethyl]phenoxy]-N-methyl-N-propan-2-ylbutan-2-amine
SMILESCC(C)N(C)C(C)CCOc1cccc([C@@H](C)N)c1
InChIInChI=1S/C16H28N2O/c1-12(2)18(5)13(3)9-10-19-16-8-6-7-15(11-16)14(4)17/h6-8,11-14H,9-10,17H2,1-5H3/t13?,14-/m1/s1
InChIKeyFWUUQNCLWHBTAQ-ARLHGKGLSA-N
XLogP3.20
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[3-(3-methylbutoxy)phenyl]ethanamine
CID 30071838
(1R)-1-[3-(3,3,3-trifluoropropoxy)phenyl]ethanamine
CID 78996560
(1S)-1-[3-(2-fluoroethoxy)phenyl]ethanamine
CID 80698499
(1R)-1-[3-(2-propoxyethoxy)phenyl]ethanamine
CID 106450340
1-[3-(4-methoxybutoxy)phenyl]ethanamine
CID 104646853
(1R)-1-[3-(4-methoxybutoxy)phenyl]ethanamine
CID 104647096
(1R)-1-(3-pent-4-enoxyphenyl)ethanamine
CID 78967500
1-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine
CID 112587902
3-[3-[(1S)-1-aminoethyl]phenoxy]propanenitrile
CID 55255938
1-[3-(2,2-difluoroethoxy)phenyl]ethanamine;hydrochloride
CID 131801467
(1S)-1-(3-pent-3-ynoxyphenyl)ethanamine
CID 104805207
2-[2-[3-[(1S)-1-aminoethyl]phenoxy]ethoxy]ethanol
CID 63367420

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(1R)-1-aminoethyl]phenoxy]-N-methyl-N-propan-2-ylbutan-2-amine?
The IUPAC name of 4-[3-[(1R)-1-aminoethyl]phenoxy]-N-methyl-N-propan-2-ylbutan-2-amine (CID 134331280) is 4-[3-[(1R)-1-aminoethyl]phenoxy]-N-methyl-N-propan-2-ylbutan-2-amine.
What is the SMILES notation for 4-[3-[(1R)-1-aminoethyl]phenoxy]-N-methyl-N-propan-2-ylbutan-2-amine?
The canonical SMILES for 4-[3-[(1R)-1-aminoethyl]phenoxy]-N-methyl-N-propan-2-ylbutan-2-amine is CC(C)N(C)C(C)CCOc1cccc([C@@H](C)N)c1.
What is the InChIKey of 4-[3-[(1R)-1-aminoethyl]phenoxy]-N-methyl-N-propan-2-ylbutan-2-amine?
The InChIKey is FWUUQNCLWHBTAQ-ARLHGKGLSA-N. The full InChI is InChI=1S/C16H28N2O/c1-12(2)18(5)13(3)9-10-19-16-8-6-7-15(11-16)14(4)17/h6-8,11-14H,9-10,17H2,1-5H3/t13?,14-/m1/s1.
What are the key properties of 4-[3-[(1R)-1-aminoethyl]phenoxy]-N-methyl-N-propan-2-ylbutan-2-amine?
4-[3-[(1R)-1-aminoethyl]phenoxy]-N-methyl-N-propan-2-ylbutan-2-amine has a molecular weight of 264.41 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(1R)-1-aminoethyl]phenoxy]-N-methyl-N-propan-2-ylbutan-2-amine is sourced from PubChem (CID 134331280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).