(3S)-N-[3-[(2S)-butan-2-yl]oxyphenyl]oxolan-3-amine

C14H21NO2 — CID 98509677

IUPAC(3S)-N-[3-[(2S)-butan-2-yl]oxyphenyl]oxolan-3-amine
SMILESCC[C@H](C)Oc1cccc(N[C@H]2CCOC2)c1
InChIInChI=1S/C14H21NO2/c1-3-11(2)17-14-6-4-5-12(9-14)15-13-7-8-16-10-13/h4-6,9,11,13,15H,3,7-8,10H2,1-2H3/t11-,13-/m0/s1
InChIKeyNRGSWMTWWSSGBG-AAEUAGOBSA-N
MW235.33 g/mol
LogP3.06
Rot. Bonds5

About (3S)-N-[3-[(2S)-butan-2-yl]oxyphenyl]oxolan-3-amine

(3S)-N-[3-[(2S)-butan-2-yl]oxyphenyl]oxolan-3-amine (PubChem CID 98509677) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is (3S)-N-[3-[(2S)-butan-2-yl]oxyphenyl]oxolan-3-amine.

Molecular Properties

Compound Name(3S)-N-[3-[(2S)-butan-2-yl]oxyphenyl]oxolan-3-amine
PubChem CID98509677
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name(3S)-N-[3-[(2S)-butan-2-yl]oxyphenyl]oxolan-3-amine
SMILESCC[C@H](C)Oc1cccc(N[C@H]2CCOC2)c1
InChIInChI=1S/C14H21NO2/c1-3-11(2)17-14-6-4-5-12(9-14)15-13-7-8-16-10-13/h4-6,9,11,13,15H,3,7-8,10H2,1-2H3/t11-,13-/m0/s1
InChIKeyNRGSWMTWWSSGBG-AAEUAGOBSA-N
XLogP3.06
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-butan-2-yloxyphenyl)piperidin-4-amine
CID 62325027
4-(3-butan-2-yloxyanilino)cyclohexan-1-ol
CID 106594573
3-butan-2-yloxy-N-(3-propan-2-ylcyclobutyl)aniline
CID 103561868
N-(3-butan-2-yloxyphenyl)-1-propan-2-ylpiperidin-4-amine
CID 62326820
N-(3-phenoxyphenyl)oxolan-3-amine
CID 63335044
N-(3-prop-2-enoxyphenyl)oxolan-3-amine
CID 115688918
3-(3-butan-2-yloxyanilino)-2,2-dimethylcyclobutan-1-ol
CID 112633972
N-(3-butan-2-yloxyphenyl)-2-(cyclopropylamino)acetamide
CID 62327374
N-[3-(chloromethyl)phenyl]oxolan-3-amine
CID 65023855
3-(3-butan-2-yloxyanilino)azepan-2-one
CID 61494916
2-(3-butan-2-yloxyanilino)-1-morpholin-4-ylethanone
CID 54830369
N-(3-butan-2-yloxyphenyl)butanamide
CID 61394703

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[3-[(2S)-butan-2-yl]oxyphenyl]oxolan-3-amine?
The IUPAC name of (3S)-N-[3-[(2S)-butan-2-yl]oxyphenyl]oxolan-3-amine (CID 98509677) is (3S)-N-[3-[(2S)-butan-2-yl]oxyphenyl]oxolan-3-amine.
What is the SMILES notation for (3S)-N-[3-[(2S)-butan-2-yl]oxyphenyl]oxolan-3-amine?
The canonical SMILES for (3S)-N-[3-[(2S)-butan-2-yl]oxyphenyl]oxolan-3-amine is CC[C@H](C)Oc1cccc(N[C@H]2CCOC2)c1.
What is the InChIKey of (3S)-N-[3-[(2S)-butan-2-yl]oxyphenyl]oxolan-3-amine?
The InChIKey is NRGSWMTWWSSGBG-AAEUAGOBSA-N. The full InChI is InChI=1S/C14H21NO2/c1-3-11(2)17-14-6-4-5-12(9-14)15-13-7-8-16-10-13/h4-6,9,11,13,15H,3,7-8,10H2,1-2H3/t11-,13-/m0/s1.
What are the key properties of (3S)-N-[3-[(2S)-butan-2-yl]oxyphenyl]oxolan-3-amine?
(3S)-N-[3-[(2S)-butan-2-yl]oxyphenyl]oxolan-3-amine has a molecular weight of 235.33 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[3-[(2S)-butan-2-yl]oxyphenyl]oxolan-3-amine is sourced from PubChem (CID 98509677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).