(1S)-1-[2-[(2R)-butan-2-yl]oxyphenyl]-N-ethylethanamine

C14H23NO — CID 93007357

IUPAC(1S)-1-[2-[(2R)-butan-2-yl]oxyphenyl]-N-ethylethanamine
SMILESCCN[C@@H](C)c1ccccc1O[C@H](C)CC
InChIInChI=1S/C14H23NO/c1-5-11(3)16-14-10-8-7-9-13(14)12(4)15-6-2/h7-12,15H,5-6H2,1-4H3/t11-,12+/m1/s1
InChIKeyMBFLRLQPEUYNFO-NEPJUHHUSA-N
MW221.34 g/mol
LogP3.53
Rot. Bonds6

About (1S)-1-[2-[(2R)-butan-2-yl]oxyphenyl]-N-ethylethanamine

(1S)-1-[2-[(2R)-butan-2-yl]oxyphenyl]-N-ethylethanamine (PubChem CID 93007357) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is (1S)-1-[2-[(2R)-butan-2-yl]oxyphenyl]-N-ethylethanamine.

Molecular Properties

Compound Name(1S)-1-[2-[(2R)-butan-2-yl]oxyphenyl]-N-ethylethanamine
PubChem CID93007357
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name(1S)-1-[2-[(2R)-butan-2-yl]oxyphenyl]-N-ethylethanamine
SMILESCCN[C@@H](C)c1ccccc1O[C@H](C)CC
InChIInChI=1S/C14H23NO/c1-5-11(3)16-14-10-8-7-9-13(14)12(4)15-6-2/h7-12,15H,5-6H2,1-4H3/t11-,12+/m1/s1
InChIKeyMBFLRLQPEUYNFO-NEPJUHHUSA-N
XLogP3.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-[2-[(2R)-butan-2-yl]oxyphenyl]ethyl]-2-methylpropan-1-amine
CID 100556033
N-ethyl-1-[2-(2-methylpropoxy)phenyl]ethanamine
CID 43279591
1-(2-butan-2-yloxyphenyl)-N-(cyclohexylmethyl)ethanamine
CID 54804387
1-[2-[1-(ethylamino)ethyl]phenoxy]propan-2-ol
CID 60882508
1-[2-(2-bromophenoxy)phenyl]-N-ethylethanamine
CID 43284836
N-ethyl-1-[2-[2-(2-methylpropoxy)ethoxy]phenyl]ethanamine
CID 106447883
1-(2-but-3-ynoxyphenyl)-N-ethylethanamine
CID 60882512
N-ethyl-1-[2-(4-methoxyphenoxy)phenyl]ethanamine
CID 43285624
1-[2-(2,6-dimethylphenoxy)phenyl]-N-ethylethanamine
CID 43285276
N-[2-(2-propan-2-ylphenoxy)propyl]butan-2-amine
CID 62572033
2-(2-butan-2-ylphenoxy)-N-ethylpropan-1-amine
CID 54798619
N-ethyl-1-[2-[(4-methylphenyl)methoxy]phenyl]ethanamine
CID 43279645

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[(2R)-butan-2-yl]oxyphenyl]-N-ethylethanamine?
The IUPAC name of (1S)-1-[2-[(2R)-butan-2-yl]oxyphenyl]-N-ethylethanamine (CID 93007357) is (1S)-1-[2-[(2R)-butan-2-yl]oxyphenyl]-N-ethylethanamine.
What is the SMILES notation for (1S)-1-[2-[(2R)-butan-2-yl]oxyphenyl]-N-ethylethanamine?
The canonical SMILES for (1S)-1-[2-[(2R)-butan-2-yl]oxyphenyl]-N-ethylethanamine is CCN[C@@H](C)c1ccccc1O[C@H](C)CC.
What is the InChIKey of (1S)-1-[2-[(2R)-butan-2-yl]oxyphenyl]-N-ethylethanamine?
The InChIKey is MBFLRLQPEUYNFO-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H23NO/c1-5-11(3)16-14-10-8-7-9-13(14)12(4)15-6-2/h7-12,15H,5-6H2,1-4H3/t11-,12+/m1/s1.
What are the key properties of (1S)-1-[2-[(2R)-butan-2-yl]oxyphenyl]-N-ethylethanamine?
(1S)-1-[2-[(2R)-butan-2-yl]oxyphenyl]-N-ethylethanamine has a molecular weight of 221.34 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[(2R)-butan-2-yl]oxyphenyl]-N-ethylethanamine is sourced from PubChem (CID 93007357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).