(1S)-1-[3-[(2S)-butan-2-yl]oxyphenyl]ethanamine

C12H19NO — CID 28744549

IUPAC(1S)-1-[3-[(2S)-butan-2-yl]oxyphenyl]ethanamine
SMILESCC[C@H](C)Oc1cccc([C@H](C)N)c1
InChIInChI=1S/C12H19NO/c1-4-9(2)14-12-7-5-6-11(8-12)10(3)13/h5-10H,4,13H2,1-3H3/t9-,10-/m0/s1
InChIKeyLAQGCYNHYKZZCX-UWVGGRQHSA-N
MW193.29 g/mol
LogP2.88
Rot. Bonds4

About (1S)-1-[3-[(2S)-butan-2-yl]oxyphenyl]ethanamine

(1S)-1-[3-[(2S)-butan-2-yl]oxyphenyl]ethanamine (PubChem CID 28744549) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is (1S)-1-[3-[(2S)-butan-2-yl]oxyphenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[3-[(2S)-butan-2-yl]oxyphenyl]ethanamine
PubChem CID28744549
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name(1S)-1-[3-[(2S)-butan-2-yl]oxyphenyl]ethanamine
SMILESCC[C@H](C)Oc1cccc([C@H](C)N)c1
InChIInChI=1S/C12H19NO/c1-4-9(2)14-12-7-5-6-11(8-12)10(3)13/h5-10H,4,13H2,1-3H3/t9-,10-/m0/s1
InChIKeyLAQGCYNHYKZZCX-UWVGGRQHSA-N
XLogP2.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(3-butan-2-yloxyphenyl)-2,2,2-trifluoroethanamine;hydrochloride
CID 161056198
1-(3-octan-2-yloxyphenyl)ethanamine
CID 79168344
1-[3-(3,3-dimethylbutan-2-yloxy)phenyl]ethanamine
CID 117052163
ethyl 2-[3-[(1R)-1-aminoethyl]phenoxy]butanoate
CID 78996836
3-butan-2-yloxybenzenediazonium
CID 82972983
1-[3-(4-butan-2-ylphenoxy)phenyl]ethanamine
CID 107665344
1-(3-methoxyphenyl)ethanamine;hydrochloride
CID 19864848
methane;(1R)-1-(3-methoxyphenyl)ethanamine
CID 160746722
3-butan-2-yloxybenzenecarbothioamide
CID 43209213
2-[3-(1-aminoethyl)phenoxy]-N-butan-2-ylacetamide
CID 16787074
(1S)-1-[3-(3-methylbutoxy)phenyl]ethanamine
CID 30071838
(1S)-1-[3-(2-fluoroethoxy)phenyl]ethanamine
CID 80698499

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-[(2S)-butan-2-yl]oxyphenyl]ethanamine?
The IUPAC name of (1S)-1-[3-[(2S)-butan-2-yl]oxyphenyl]ethanamine (CID 28744549) is (1S)-1-[3-[(2S)-butan-2-yl]oxyphenyl]ethanamine.
What is the SMILES notation for (1S)-1-[3-[(2S)-butan-2-yl]oxyphenyl]ethanamine?
The canonical SMILES for (1S)-1-[3-[(2S)-butan-2-yl]oxyphenyl]ethanamine is CC[C@H](C)Oc1cccc([C@H](C)N)c1.
What is the InChIKey of (1S)-1-[3-[(2S)-butan-2-yl]oxyphenyl]ethanamine?
The InChIKey is LAQGCYNHYKZZCX-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H19NO/c1-4-9(2)14-12-7-5-6-11(8-12)10(3)13/h5-10H,4,13H2,1-3H3/t9-,10-/m0/s1.
What are the key properties of (1S)-1-[3-[(2S)-butan-2-yl]oxyphenyl]ethanamine?
(1S)-1-[3-[(2S)-butan-2-yl]oxyphenyl]ethanamine has a molecular weight of 193.29 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-[(2S)-butan-2-yl]oxyphenyl]ethanamine is sourced from PubChem (CID 28744549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).