(2S)-1-[[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylamino]propan-2-ol

C17H19Cl2NO2 — CID 51997084

IUPAC(2S)-1-[[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylamino]propan-2-ol
SMILESC[C@H](O)CNCc1cccc(OCc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C17H19Cl2NO2/c1-12(21)9-20-10-13-3-2-4-15(7-13)22-11-14-5-6-16(18)17(19)8-14/h2-8,12,20-21H,9-11H2,1H3/t12-/m0/s1
InChIKeyOSCULRUBXQZYTA-LBPRGKRZSA-N
MW340.25 g/mol
LogP4.04
Rot. Bonds7

About (2S)-1-[[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylamino]propan-2-ol

(2S)-1-[[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylamino]propan-2-ol (PubChem CID 51997084) has the molecular formula C17H19Cl2NO2 and a molecular weight of 340.25 g/mol. Its IUPAC name is (2S)-1-[[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylamino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylamino]propan-2-ol
PubChem CID51997084
Molecular FormulaC17H19Cl2NO2
Molecular Weight340.25 g/mol
Exact Mass339.08
IUPAC Name(2S)-1-[[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylamino]propan-2-ol
SMILESC[C@H](O)CNCc1cccc(OCc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C17H19Cl2NO2/c1-12(21)9-20-10-13-3-2-4-15(7-13)22-11-14-5-6-16(18)17(19)8-14/h2-8,12,20-21H,9-11H2,1H3/t12-/m0/s1
InChIKeyOSCULRUBXQZYTA-LBPRGKRZSA-N
XLogP4.04
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.25
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-1-[[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylamino]propan-2-ol with MolForge

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Related Compounds

(1S)-2-[[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylamino]-1-phenylethanol
CID 51993453
1-[(3,4-dichlorophenyl)methylamino]propan-2-ol;hydrochloride
CID 17293833
1-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]propan-2-ol
CID 4719391
1-[2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethylamino]propan-2-ol;dihydrochloride
CID 17295165
1-[(3-butoxyphenyl)methylamino]propan-2-ol
CID 54849199
(2R)-1-[(3-prop-2-ynoxyphenyl)methylamino]propan-2-ol
CID 94074486
(2R)-1-[[3-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylamino]propan-2-ol
CID 29187953
(2R)-1-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 40761793
(2S)-1-[(3-chloro-4-propan-2-yloxyphenyl)methylamino]propan-2-ol
CID 51996926
(2S)-1-[[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]propan-2-ol
CID 51997058
4-[(3-phenylmethoxyphenyl)methylamino]butan-2-ol
CID 111336616
N-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine;hydrochloride
CID 17291308

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylamino]propan-2-ol?
The IUPAC name of (2S)-1-[[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylamino]propan-2-ol (CID 51997084) is (2S)-1-[[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylamino]propan-2-ol.
What is the SMILES notation for (2S)-1-[[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylamino]propan-2-ol?
The canonical SMILES for (2S)-1-[[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylamino]propan-2-ol is C[C@H](O)CNCc1cccc(OCc2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of (2S)-1-[[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylamino]propan-2-ol?
The InChIKey is OSCULRUBXQZYTA-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H19Cl2NO2/c1-12(21)9-20-10-13-3-2-4-15(7-13)22-11-14-5-6-16(18)17(19)8-14/h2-8,12,20-21H,9-11H2,1H3/t12-/m0/s1.
What are the key properties of (2S)-1-[[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylamino]propan-2-ol?
(2S)-1-[[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylamino]propan-2-ol has a molecular weight of 340.25 g/mol, XLogP of 4.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylamino]propan-2-ol is sourced from PubChem (CID 51997084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).