cis-(1R,2R)-2-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxymethyl]-N-methylcyclopropan-1-amine

C19H20N2O2 — CID 54169066

IUPACcis-(1R,2R)-2-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxymethyl]-N-methylcyclopropan-1-amine
SMILESCN[C@@H]1C[C@H]1COCc1ccc(-c2nc3ccccc3o2)cc1
InChIInChI=1S/C19H20N2O2/c1-20-17-10-15(17)12-22-11-13-6-8-14(9-7-13)19-21-16-4-2-3-5-18(16)23-19/h2-9,15,17,20H,10-12H2,1H3/t15-,17+/m0/s1
InChIKeyOTSXIGTXFZPXGG-DOTOQJQBSA-N
MW308.38 g/mol
LogP3.62
Rot. Bonds6

About cis-(1R,2R)-2-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxymethyl]-N-methylcyclopropan-1-amine

cis-(1R,2R)-2-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxymethyl]-N-methylcyclopropan-1-amine (PubChem CID 54169066) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is cis-(1R,2R)-2-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxymethyl]-N-methylcyclopropan-1-amine.

Molecular Properties

Compound Namecis-(1R,2R)-2-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxymethyl]-N-methylcyclopropan-1-amine
PubChem CID54169066
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Namecis-(1R,2R)-2-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxymethyl]-N-methylcyclopropan-1-amine
SMILESCN[C@@H]1C[C@H]1COCc1ccc(-c2nc3ccccc3o2)cc1
InChIInChI=1S/C19H20N2O2/c1-20-17-10-15(17)12-22-11-13-6-8-14(9-7-13)19-21-16-4-2-3-5-18(16)23-19/h2-9,15,17,20H,10-12H2,1H3/t15-,17+/m0/s1
InChIKeyOTSXIGTXFZPXGG-DOTOQJQBSA-N
XLogP3.62
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze cis-(1R,2R)-2-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxymethyl]-N-methylcyclopropan-1-amine with MolForge

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Related Compounds

cis-(1R,2R)-2-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxymethyl]-N-methylcyclopropan-1-amine;hydrochloride
CID 70124895
trans-(1S,3S)-3-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxy]cyclohexan-1-amine
CID 22856085
2-[4-[(4-methylphenyl)methoxy]phenyl]-1,3-benzoxazole
CID 91678637
2-[(1R,3R)-3-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxy]cyclopentyl]ethanol
CID 70122051
1-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxy]adamantan-2-amine
CID 15198021
1-amino-4-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxy]cyclohexan-1-ol
CID 19384381
2-[4-[(4-ethenylphenyl)methoxy]phenyl]-1,3-benzoxazole
CID 58943106
N-[2-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxy]ethyl]-6-phenylhexan-1-amine
CID 15389015
(1S,2R,6S)-2-amino-6-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxy]cyclohexan-1-ol
CID 22856077
cis-(1S,2R)-2-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxy]-N-tritylcyclohexan-1-amine
CID 54326495
acetic acid;2-[(1S,2R,3R)-3-amino-2-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxy]cyclopentyl]ethanol
CID 70122004
[4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenoxy]phenyl]methanol
CID 58057288

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxymethyl]-N-methylcyclopropan-1-amine?
The IUPAC name of cis-(1R,2R)-2-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxymethyl]-N-methylcyclopropan-1-amine (CID 54169066) is cis-(1R,2R)-2-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxymethyl]-N-methylcyclopropan-1-amine.
What is the SMILES notation for cis-(1R,2R)-2-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxymethyl]-N-methylcyclopropan-1-amine?
The canonical SMILES for cis-(1R,2R)-2-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxymethyl]-N-methylcyclopropan-1-amine is CN[C@@H]1C[C@H]1COCc1ccc(-c2nc3ccccc3o2)cc1.
What is the InChIKey of cis-(1R,2R)-2-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxymethyl]-N-methylcyclopropan-1-amine?
The InChIKey is OTSXIGTXFZPXGG-DOTOQJQBSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-20-17-10-15(17)12-22-11-13-6-8-14(9-7-13)19-21-16-4-2-3-5-18(16)23-19/h2-9,15,17,20H,10-12H2,1H3/t15-,17+/m0/s1.
What are the key properties of cis-(1R,2R)-2-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxymethyl]-N-methylcyclopropan-1-amine?
cis-(1R,2R)-2-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxymethyl]-N-methylcyclopropan-1-amine has a molecular weight of 308.38 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxymethyl]-N-methylcyclopropan-1-amine is sourced from PubChem (CID 54169066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).