(1R)-1-[4-[(2R)-butan-2-yl]oxyphenyl]-N-[[(2S)-oxolan-2-yl]methyl]ethanamine

C17H27NO2 — CID 100558519

IUPAC(1R)-1-[4-[(2R)-butan-2-yl]oxyphenyl]-N-[[(2S)-oxolan-2-yl]methyl]ethanamine
SMILESCC[C@@H](C)Oc1ccc([C@@H](C)NC[C@@H]2CCCO2)cc1
InChIInChI=1S/C17H27NO2/c1-4-13(2)20-16-9-7-15(8-10-16)14(3)18-12-17-6-5-11-19-17/h7-10,13-14,17-18H,4-6,11-12H2,1-3H3/t13-,14-,17+/m1/s1
InChIKeyBHVLXDWIQYEEEP-CPUCHLNUSA-N
MW277.41 g/mol
LogP3.69
Rot. Bonds7

About (1R)-1-[4-[(2R)-butan-2-yl]oxyphenyl]-N-[[(2S)-oxolan-2-yl]methyl]ethanamine

(1R)-1-[4-[(2R)-butan-2-yl]oxyphenyl]-N-[[(2S)-oxolan-2-yl]methyl]ethanamine (PubChem CID 100558519) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is (1R)-1-[4-[(2R)-butan-2-yl]oxyphenyl]-N-[[(2S)-oxolan-2-yl]methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[4-[(2R)-butan-2-yl]oxyphenyl]-N-[[(2S)-oxolan-2-yl]methyl]ethanamine
PubChem CID100558519
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name(1R)-1-[4-[(2R)-butan-2-yl]oxyphenyl]-N-[[(2S)-oxolan-2-yl]methyl]ethanamine
SMILESCC[C@@H](C)Oc1ccc([C@@H](C)NC[C@@H]2CCCO2)cc1
InChIInChI=1S/C17H27NO2/c1-4-13(2)20-16-9-7-15(8-10-16)14(3)18-12-17-6-5-11-19-17/h7-10,13-14,17-18H,4-6,11-12H2,1-3H3/t13-,14-,17+/m1/s1
InChIKeyBHVLXDWIQYEEEP-CPUCHLNUSA-N
XLogP3.69
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R)-1-[4-[(2R)-butan-2-yl]oxyphenyl]-N-[[(2S)-oxolan-2-yl]methyl]ethanamine with MolForge

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Related Compounds

(1R)-1-[4-[(2R)-butan-2-yl]oxyphenyl]-N-ethylethanamine
CID 93007249
1-(4-butylphenyl)-N-(oxolan-2-ylmethyl)ethanamine
CID 43111276
2-(oxolan-2-ylmethylamino)-2-(4-propan-2-yloxyphenyl)ethanol
CID 61049777
1-(4-iodophenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 55014093
(1S)-N-(oxolan-2-ylmethyl)-1-pyridin-3-ylethanamine
CID 81404067
(1S)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]ethanamine
CID 29038668
4-[[2-(4-butan-2-yloxyanilino)-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54836696
4-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54830059
1-(4-ethylphenyl)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 43309993
2-(4-methoxyphenyl)-2-(oxolan-2-ylmethylamino)ethanol
CID 61050567
N-[[2-[(2R)-butan-2-yl]oxyphenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 95167614
(1R)-N-(oxolan-2-ylmethyl)-1-thiophen-2-ylethanamine
CID 81408382

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-[(2R)-butan-2-yl]oxyphenyl]-N-[[(2S)-oxolan-2-yl]methyl]ethanamine?
The IUPAC name of (1R)-1-[4-[(2R)-butan-2-yl]oxyphenyl]-N-[[(2S)-oxolan-2-yl]methyl]ethanamine (CID 100558519) is (1R)-1-[4-[(2R)-butan-2-yl]oxyphenyl]-N-[[(2S)-oxolan-2-yl]methyl]ethanamine.
What is the SMILES notation for (1R)-1-[4-[(2R)-butan-2-yl]oxyphenyl]-N-[[(2S)-oxolan-2-yl]methyl]ethanamine?
The canonical SMILES for (1R)-1-[4-[(2R)-butan-2-yl]oxyphenyl]-N-[[(2S)-oxolan-2-yl]methyl]ethanamine is CC[C@@H](C)Oc1ccc([C@@H](C)NC[C@@H]2CCCO2)cc1.
What is the InChIKey of (1R)-1-[4-[(2R)-butan-2-yl]oxyphenyl]-N-[[(2S)-oxolan-2-yl]methyl]ethanamine?
The InChIKey is BHVLXDWIQYEEEP-CPUCHLNUSA-N. The full InChI is InChI=1S/C17H27NO2/c1-4-13(2)20-16-9-7-15(8-10-16)14(3)18-12-17-6-5-11-19-17/h7-10,13-14,17-18H,4-6,11-12H2,1-3H3/t13-,14-,17+/m1/s1.
What are the key properties of (1R)-1-[4-[(2R)-butan-2-yl]oxyphenyl]-N-[[(2S)-oxolan-2-yl]methyl]ethanamine?
(1R)-1-[4-[(2R)-butan-2-yl]oxyphenyl]-N-[[(2S)-oxolan-2-yl]methyl]ethanamine has a molecular weight of 277.41 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-[(2R)-butan-2-yl]oxyphenyl]-N-[[(2S)-oxolan-2-yl]methyl]ethanamine is sourced from PubChem (CID 100558519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).