(2R)-2-[[3-(methoxymethyl)phenyl]methylamino]propan-1-ol

C12H19NO2 — CID 114986461

IUPAC(2R)-2-[[3-(methoxymethyl)phenyl]methylamino]propan-1-ol
SMILESCOCc1cccc(CN[C@H](C)CO)c1
InChIInChI=1S/C12H19NO2/c1-10(8-14)13-7-11-4-3-5-12(6-11)9-15-2/h3-6,10,13-14H,7-9H2,1-2H3/t10-/m1/s1
InChIKeyCJWVMDBZOOUTSF-SNVBAGLBSA-N
MW209.29 g/mol
LogP1.30
Rot. Bonds6

About (2R)-2-[[3-(methoxymethyl)phenyl]methylamino]propan-1-ol

(2R)-2-[[3-(methoxymethyl)phenyl]methylamino]propan-1-ol (PubChem CID 114986461) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is (2R)-2-[[3-(methoxymethyl)phenyl]methylamino]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-[[3-(methoxymethyl)phenyl]methylamino]propan-1-ol
PubChem CID114986461
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name(2R)-2-[[3-(methoxymethyl)phenyl]methylamino]propan-1-ol
SMILESCOCc1cccc(CN[C@H](C)CO)c1
InChIInChI=1S/C12H19NO2/c1-10(8-14)13-7-11-4-3-5-12(6-11)9-15-2/h3-6,10,13-14H,7-9H2,1-2H3/t10-/m1/s1
InChIKeyCJWVMDBZOOUTSF-SNVBAGLBSA-N
XLogP1.30
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(methoxymethyl)phenyl]methyl]butan-2-amine
CID 61003374
4-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]-4-methylpentan-2-amine
CID 54896409
2-[(3-methoxyphenyl)methylamino]propan-1-ol
CID 43499761
4,4,4-trifluoro-N-[[3-(methoxymethyl)phenyl]methyl]butan-2-amine
CID 103777686
(2R)-2-[(3-propan-2-yloxyphenyl)methylamino]propan-1-ol
CID 114985581
2-[[3-(methoxymethyl)phenyl]methylamino]-N-propan-2-ylpropanamide
CID 54896649
4-methoxy-3-[[3-(methoxymethyl)phenyl]methylamino]butan-1-ol
CID 113243238
N-[[3-(methoxymethyl)phenyl]methyl]-1-(2-methoxyphenyl)propan-2-amine
CID 119165099
2-[[3-(methoxymethyl)phenyl]methylamino]-3-methylbutanamide
CID 113243144
2-[[3-(methoxymethyl)phenyl]methylamino]ethanol
CID 61004164
N-tert-butyl-2-[[3-(methoxymethyl)phenyl]methylamino]propanamide
CID 61003389
(2R)-2-[(3,4-dimethoxyphenyl)methylamino]propan-1-ol
CID 114985562

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[3-(methoxymethyl)phenyl]methylamino]propan-1-ol?
The IUPAC name of (2R)-2-[[3-(methoxymethyl)phenyl]methylamino]propan-1-ol (CID 114986461) is (2R)-2-[[3-(methoxymethyl)phenyl]methylamino]propan-1-ol.
What is the SMILES notation for (2R)-2-[[3-(methoxymethyl)phenyl]methylamino]propan-1-ol?
The canonical SMILES for (2R)-2-[[3-(methoxymethyl)phenyl]methylamino]propan-1-ol is COCc1cccc(CN[C@H](C)CO)c1.
What is the InChIKey of (2R)-2-[[3-(methoxymethyl)phenyl]methylamino]propan-1-ol?
The InChIKey is CJWVMDBZOOUTSF-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H19NO2/c1-10(8-14)13-7-11-4-3-5-12(6-11)9-15-2/h3-6,10,13-14H,7-9H2,1-2H3/t10-/m1/s1.
What are the key properties of (2R)-2-[[3-(methoxymethyl)phenyl]methylamino]propan-1-ol?
(2R)-2-[[3-(methoxymethyl)phenyl]methylamino]propan-1-ol has a molecular weight of 209.29 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[3-(methoxymethyl)phenyl]methylamino]propan-1-ol is sourced from PubChem (CID 114986461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).