(2R)-1-(3,4-dimethoxyanilino)propan-2-ol

C11H17NO3 — CID 39242812

IUPAC(2R)-1-(3,4-dimethoxyanilino)propan-2-ol
SMILESCOc1ccc(NC[C@@H](C)O)cc1OC
InChIInChI=1S/C11H17NO3/c1-8(13)7-12-9-4-5-10(14-2)11(6-9)15-3/h4-6,8,12-13H,7H2,1-3H3/t8-/m1/s1
InChIKeyIFAQHZXAOYEAEP-MRVPVSSYSA-N
MW211.26 g/mol
LogP1.50
Rot. Bonds5

About (2R)-1-(3,4-dimethoxyanilino)propan-2-ol

(2R)-1-(3,4-dimethoxyanilino)propan-2-ol (PubChem CID 39242812) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is (2R)-1-(3,4-dimethoxyanilino)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(3,4-dimethoxyanilino)propan-2-ol
PubChem CID39242812
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name(2R)-1-(3,4-dimethoxyanilino)propan-2-ol
SMILESCOc1ccc(NC[C@@H](C)O)cc1OC
InChIInChI=1S/C11H17NO3/c1-8(13)7-12-9-4-5-10(14-2)11(6-9)15-3/h4-6,8,12-13H,7H2,1-3H3/t8-/m1/s1
InChIKeyIFAQHZXAOYEAEP-MRVPVSSYSA-N
XLogP1.50
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dimethoxyphenyl)-2-methylbutane-1,4-diamine
CID 114987378
3-(4-bromo-3-methoxyanilino)-2-methylpropanamide
CID 82867694
methyl 2-acetamido-3-(3,4-dimethoxyanilino)propanoate
CID 103232986
N-[(E)-3-chloro-2-methylprop-2-enyl]-3,4-dimethoxyaniline
CID 106437326
3,4-dimethoxy-N-(3-methylbut-2-enyl)aniline
CID 103604390
3-(difluoromethoxy)-4-methoxy-N-(2-methylbutyl)aniline
CID 43731307
1-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]propan-2-ol
CID 43499278
1-chloro-3-(4-fluoro-3-methoxyanilino)propan-2-ol
CID 168636388
methyl 2-[4-[(3-chloro-2-hydroxypropyl)amino]-2-methoxyphenoxy]acetate
CID 168637909
3-(3,4-dimethoxyanilino)-2-phenylpropanenitrile
CID 64533171
N-(2,6-dimethylheptan-4-yl)-3,4-dimethoxyaniline
CID 29054156
methyl 2-methoxy-4-(2-methylpropylamino)benzoate
CID 83295320

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3,4-dimethoxyanilino)propan-2-ol?
The IUPAC name of (2R)-1-(3,4-dimethoxyanilino)propan-2-ol (CID 39242812) is (2R)-1-(3,4-dimethoxyanilino)propan-2-ol.
What is the SMILES notation for (2R)-1-(3,4-dimethoxyanilino)propan-2-ol?
The canonical SMILES for (2R)-1-(3,4-dimethoxyanilino)propan-2-ol is COc1ccc(NC[C@@H](C)O)cc1OC.
What is the InChIKey of (2R)-1-(3,4-dimethoxyanilino)propan-2-ol?
The InChIKey is IFAQHZXAOYEAEP-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-8(13)7-12-9-4-5-10(14-2)11(6-9)15-3/h4-6,8,12-13H,7H2,1-3H3/t8-/m1/s1.
What are the key properties of (2R)-1-(3,4-dimethoxyanilino)propan-2-ol?
(2R)-1-(3,4-dimethoxyanilino)propan-2-ol has a molecular weight of 211.26 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3,4-dimethoxyanilino)propan-2-ol is sourced from PubChem (CID 39242812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).