1-(oxan-4-yl)-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]propan-2-amine

C19H29NO2 — CID 128999830

IUPAC1-(oxan-4-yl)-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]propan-2-amine
SMILESCC(CC1CCOCC1)NC[C@H]1CCO[C@@H]1c1ccccc1
InChIInChI=1S/C19H29NO2/c1-15(13-16-7-10-21-11-8-16)20-14-18-9-12-22-19(18)17-5-3-2-4-6-17/h2-6,15-16,18-20H,7-14H2,1H3/t15?,18-,19-/m1/s1
InChIKeyLNOSTFZNWLSRBO-JCNKGUCWSA-N
MW303.45 g/mol
LogP3.56
Rot. Bonds6

About 1-(oxan-4-yl)-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]propan-2-amine

1-(oxan-4-yl)-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]propan-2-amine (PubChem CID 128999830) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 1-(oxan-4-yl)-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name1-(oxan-4-yl)-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]propan-2-amine
PubChem CID128999830
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name1-(oxan-4-yl)-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]propan-2-amine
SMILESCC(CC1CCOCC1)NC[C@H]1CCO[C@@H]1c1ccccc1
InChIInChI=1S/C19H29NO2/c1-15(13-16-7-10-21-11-8-16)20-14-18-9-12-22-19(18)17-5-3-2-4-6-17/h2-6,15-16,18-20H,7-14H2,1H3/t15?,18-,19-/m1/s1
InChIKeyLNOSTFZNWLSRBO-JCNKGUCWSA-N
XLogP3.56
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(4-ethylphenyl)oxolan-3-yl]methyl]propan-2-amine
CID 79367506
(1S)-N-[[(2R,3S)-2-(4-fluorophenyl)oxolan-3-yl]methyl]-1-[(3R)-oxolan-3-yl]ethanamine
CID 125419572
N-[[2-(3-chlorophenyl)oxolan-3-yl]methyl]propan-2-amine
CID 79368166
1-[(2R)-3-methylbutan-2-yl]-3-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]urea
CID 129331695
N-methyl-1-[2-(4-phenylphenyl)oxolan-3-yl]methanamine
CID 79367575
(2S)-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-2-pyrrol-1-ylpropanamide
CID 129328039
N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-2-pyrrol-1-ylpropanamide
CID 129004071
(2R,3S)-N-[(2S)-1-(oxan-4-yl)propan-2-yl]-2-pyridin-4-yloxan-3-amine
CID 129490196
N-[[2-(3-propan-2-yloxyphenyl)oxolan-3-yl]methyl]propan-2-amine
CID 79368826
(2R)-N-chloro-1-(oxan-4-yl)propan-2-amine
CID 90382614
4-(3-chloro-2-methyl-3-phenylpropyl)oxane
CID 104846457
1-[2-[3-(difluoromethyl)phenyl]oxolan-3-yl]-N-methylmethanamine
CID 113329497

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]propan-2-amine?
The IUPAC name of 1-(oxan-4-yl)-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]propan-2-amine (CID 128999830) is 1-(oxan-4-yl)-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for 1-(oxan-4-yl)-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]propan-2-amine?
The canonical SMILES for 1-(oxan-4-yl)-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]propan-2-amine is CC(CC1CCOCC1)NC[C@H]1CCO[C@@H]1c1ccccc1.
What is the InChIKey of 1-(oxan-4-yl)-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]propan-2-amine?
The InChIKey is LNOSTFZNWLSRBO-JCNKGUCWSA-N. The full InChI is InChI=1S/C19H29NO2/c1-15(13-16-7-10-21-11-8-16)20-14-18-9-12-22-19(18)17-5-3-2-4-6-17/h2-6,15-16,18-20H,7-14H2,1H3/t15?,18-,19-/m1/s1.
What are the key properties of 1-(oxan-4-yl)-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]propan-2-amine?
1-(oxan-4-yl)-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]propan-2-amine has a molecular weight of 303.45 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 128999830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).