(1R)-1-[4-[(2R)-butan-2-yl]oxyphenyl]-N-ethylethanamine

C14H23NO — CID 93007249

IUPAC(1R)-1-[4-[(2R)-butan-2-yl]oxyphenyl]-N-ethylethanamine
SMILESCCN[C@H](C)c1ccc(O[C@H](C)CC)cc1
InChIInChI=1S/C14H23NO/c1-5-11(3)16-14-9-7-13(8-10-14)12(4)15-6-2/h7-12,15H,5-6H2,1-4H3/t11-,12-/m1/s1
InChIKeyWMNBZPXEBYHWSF-VXGBXAGGSA-N
MW221.34 g/mol
LogP3.53
Rot. Bonds6

About (1R)-1-[4-[(2R)-butan-2-yl]oxyphenyl]-N-ethylethanamine

(1R)-1-[4-[(2R)-butan-2-yl]oxyphenyl]-N-ethylethanamine (PubChem CID 93007249) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is (1R)-1-[4-[(2R)-butan-2-yl]oxyphenyl]-N-ethylethanamine.

Molecular Properties

Compound Name(1R)-1-[4-[(2R)-butan-2-yl]oxyphenyl]-N-ethylethanamine
PubChem CID93007249
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name(1R)-1-[4-[(2R)-butan-2-yl]oxyphenyl]-N-ethylethanamine
SMILESCCN[C@H](C)c1ccc(O[C@H](C)CC)cc1
InChIInChI=1S/C14H23NO/c1-5-11(3)16-14-9-7-13(8-10-14)12(4)15-6-2/h7-12,15H,5-6H2,1-4H3/t11-,12-/m1/s1
InChIKeyWMNBZPXEBYHWSF-VXGBXAGGSA-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-ethyl-1-[4-(4-methylpentan-2-yloxy)phenyl]ethanamine
CID 43285161
(2R)-N-[(1S)-1-[4-[(2S)-butan-2-yl]oxyphenyl]ethyl]butan-2-amine
CID 100558254
ethane;N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 143132018
(1R)-1-(4-butan-2-yloxyphenyl)propan-1-amine
CID 78937309
ethyl 2-[4-[1-(ethylamino)ethyl]phenoxy]butanoate
CID 64668116
N-ethyl-1-(4-phenoxyphenyl)ethanamine
CID 43285534
(1R)-1-[4-[(2R)-butan-2-yl]oxyphenyl]-N-[[(2S)-oxolan-2-yl]methyl]ethanamine
CID 100558519
N-ethyl-1-[4-(2-propan-2-yloxyethoxy)phenyl]ethanamine
CID 43285146
N-ethyl-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 24697408
1-[4-(2,2-difluoroethoxy)phenyl]-N-ethylethanamine
CID 60921749
N,N-diethyl-2-[4-[1-(ethylamino)ethyl]phenoxy]propanamide
CID 43279277
1-(4-but-3-ynoxyphenyl)-N-ethylethanamine
CID 60880991

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-[(2R)-butan-2-yl]oxyphenyl]-N-ethylethanamine?
The IUPAC name of (1R)-1-[4-[(2R)-butan-2-yl]oxyphenyl]-N-ethylethanamine (CID 93007249) is (1R)-1-[4-[(2R)-butan-2-yl]oxyphenyl]-N-ethylethanamine.
What is the SMILES notation for (1R)-1-[4-[(2R)-butan-2-yl]oxyphenyl]-N-ethylethanamine?
The canonical SMILES for (1R)-1-[4-[(2R)-butan-2-yl]oxyphenyl]-N-ethylethanamine is CCN[C@H](C)c1ccc(O[C@H](C)CC)cc1.
What is the InChIKey of (1R)-1-[4-[(2R)-butan-2-yl]oxyphenyl]-N-ethylethanamine?
The InChIKey is WMNBZPXEBYHWSF-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H23NO/c1-5-11(3)16-14-9-7-13(8-10-14)12(4)15-6-2/h7-12,15H,5-6H2,1-4H3/t11-,12-/m1/s1.
What are the key properties of (1R)-1-[4-[(2R)-butan-2-yl]oxyphenyl]-N-ethylethanamine?
(1R)-1-[4-[(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 (1R)-1-[4-[(2R)-butan-2-yl]oxyphenyl]-N-ethylethanamine is sourced from PubChem (CID 93007249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).