(2R)-2-[(3,4-dimethoxyphenyl)methylamino]propan-1-ol

C12H19NO3 — CID 114985562

IUPAC(2R)-2-[(3,4-dimethoxyphenyl)methylamino]propan-1-ol
SMILESCOc1ccc(CN[C@H](C)CO)cc1OC
InChIInChI=1S/C12H19NO3/c1-9(8-14)13-7-10-4-5-11(15-2)12(6-10)16-3/h4-6,9,13-14H,7-8H2,1-3H3/t9-/m1/s1
InChIKeyPNOPZEWJQPONRK-SECBINFHSA-N
MW225.29 g/mol
LogP1.17
Rot. Bonds6

About (2R)-2-[(3,4-dimethoxyphenyl)methylamino]propan-1-ol

(2R)-2-[(3,4-dimethoxyphenyl)methylamino]propan-1-ol (PubChem CID 114985562) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is (2R)-2-[(3,4-dimethoxyphenyl)methylamino]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(3,4-dimethoxyphenyl)methylamino]propan-1-ol
PubChem CID114985562
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name(2R)-2-[(3,4-dimethoxyphenyl)methylamino]propan-1-ol
SMILESCOc1ccc(CN[C@H](C)CO)cc1OC
InChIInChI=1S/C12H19NO3/c1-9(8-14)13-7-10-4-5-11(15-2)12(6-10)16-3/h4-6,9,13-14H,7-8H2,1-3H3/t9-/m1/s1
InChIKeyPNOPZEWJQPONRK-SECBINFHSA-N
XLogP1.17
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methoxy-3-methylphenyl)methylamino]propan-1-ol
CID 43776404
N-[(3,4-dimethoxyphenyl)methyl]butan-2-amine
CID 4717032
2-[(4-methoxy-3-nitrophenyl)methylamino]propan-1-ol
CID 43499927
(2S)-2-[(3,4-dimethoxyphenyl)methylamino]butan-1-ol;hydrochloride
CID 23623616
N-[(3,4-dimethoxyphenyl)methyl]pent-4-yn-2-amine
CID 115660255
N-[(3,4-dimethoxyphenyl)methyl]octan-2-amine
CID 43085029
2-[(3-methoxyphenyl)methylamino]propan-1-ol
CID 43499761
2-[(3,4-dimethoxyphenyl)methylamino]-3-hydroxybutanoic acid
CID 82364254
2-[(3,4-dimethoxyphenyl)methylamino]-N-methylpropanamide
CID 43400841
(2R)-2-[[4-(2-methoxyphenyl)phenyl]methylamino]propan-1-ol
CID 111466419
1-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]ethanamine
CID 62633318
3-[(3,4-dimethoxyphenyl)methylamino]pentan-1-ol
CID 111449243

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3,4-dimethoxyphenyl)methylamino]propan-1-ol?
The IUPAC name of (2R)-2-[(3,4-dimethoxyphenyl)methylamino]propan-1-ol (CID 114985562) is (2R)-2-[(3,4-dimethoxyphenyl)methylamino]propan-1-ol.
What is the SMILES notation for (2R)-2-[(3,4-dimethoxyphenyl)methylamino]propan-1-ol?
The canonical SMILES for (2R)-2-[(3,4-dimethoxyphenyl)methylamino]propan-1-ol is COc1ccc(CN[C@H](C)CO)cc1OC.
What is the InChIKey of (2R)-2-[(3,4-dimethoxyphenyl)methylamino]propan-1-ol?
The InChIKey is PNOPZEWJQPONRK-SECBINFHSA-N. The full InChI is InChI=1S/C12H19NO3/c1-9(8-14)13-7-10-4-5-11(15-2)12(6-10)16-3/h4-6,9,13-14H,7-8H2,1-3H3/t9-/m1/s1.
What are the key properties of (2R)-2-[(3,4-dimethoxyphenyl)methylamino]propan-1-ol?
(2R)-2-[(3,4-dimethoxyphenyl)methylamino]propan-1-ol has a molecular weight of 225.29 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3,4-dimethoxyphenyl)methylamino]propan-1-ol is sourced from PubChem (CID 114985562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).