N-[[2-[(2R)-butan-2-yl]oxyphenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine

C16H25NO2 — CID 95167614

IUPACN-[[2-[(2R)-butan-2-yl]oxyphenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
SMILESCC[C@@H](C)Oc1ccccc1CNC[C@H]1CCCO1
InChIInChI=1S/C16H25NO2/c1-3-13(2)19-16-9-5-4-7-14(16)11-17-12-15-8-6-10-18-15/h4-5,7,9,13,15,17H,3,6,8,10-12H2,1-2H3/t13-,15-/m1/s1
InChIKeyBUTNOOXYCKSCCH-UKRRQHHQSA-N
MW263.38 g/mol
LogP3.13
Rot. Bonds7

About N-[[2-[(2R)-butan-2-yl]oxyphenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine

N-[[2-[(2R)-butan-2-yl]oxyphenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine (PubChem CID 95167614) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[[2-[(2R)-butan-2-yl]oxyphenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine.

Molecular Properties

Compound NameN-[[2-[(2R)-butan-2-yl]oxyphenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
PubChem CID95167614
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-[[2-[(2R)-butan-2-yl]oxyphenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
SMILESCC[C@@H](C)Oc1ccccc1CNC[C@H]1CCCO1
InChIInChI=1S/C16H25NO2/c1-3-13(2)19-16-9-5-4-7-14(16)11-17-12-15-8-6-10-18-15/h4-5,7,9,13,15,17H,3,6,8,10-12H2,1-2H3/t13-,15-/m1/s1
InChIKeyBUTNOOXYCKSCCH-UKRRQHHQSA-N
XLogP3.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 964934
N-[(2-butoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 46736211
N-[[2-[(2-methylphenyl)methoxy]phenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 51990583
N-[[2-[(2-methylphenyl)methoxy]phenyl]methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 51990581
N-[[2-(2-ethoxyethoxy)phenyl]methyl]-1-(oxolan-2-yl)methanamine
CID 46736214
2-(2-methylsulfanylphenoxy)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 63649409
N-[[2-[(2R)-butan-2-yl]oxyphenyl]methyl]ethanamine
CID 92983672
N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-(oxolan-2-yl)methanamine
CID 17054250
2-(2,3-dichlorophenoxy)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 55093100
2-[2-[[[(2R)-oxolan-2-yl]methylamino]methyl]phenoxy]acetic acid
CID 95003278
2-(2,3-dimethylphenoxy)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 62573039
2-methyl-N-[[2-(oxolan-2-ylmethoxy)phenyl]methyl]propan-1-amine
CID 63063949

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2R)-butan-2-yl]oxyphenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine?
The IUPAC name of N-[[2-[(2R)-butan-2-yl]oxyphenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine (CID 95167614) is N-[[2-[(2R)-butan-2-yl]oxyphenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine.
What is the SMILES notation for N-[[2-[(2R)-butan-2-yl]oxyphenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine?
The canonical SMILES for N-[[2-[(2R)-butan-2-yl]oxyphenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine is CC[C@@H](C)Oc1ccccc1CNC[C@H]1CCCO1.
What is the InChIKey of N-[[2-[(2R)-butan-2-yl]oxyphenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine?
The InChIKey is BUTNOOXYCKSCCH-UKRRQHHQSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-13(2)19-16-9-5-4-7-14(16)11-17-12-15-8-6-10-18-15/h4-5,7,9,13,15,17H,3,6,8,10-12H2,1-2H3/t13-,15-/m1/s1.
What are the key properties of N-[[2-[(2R)-butan-2-yl]oxyphenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine?
N-[[2-[(2R)-butan-2-yl]oxyphenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine has a molecular weight of 263.38 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2R)-butan-2-yl]oxyphenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine is sourced from PubChem (CID 95167614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).