1-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylamino]propan-2-ol

C18H22ClNO3 — CID 4716264

IUPAC1-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylamino]propan-2-ol
SMILESCOc1cc(CNCC(C)O)cc(Cl)c1OCc1ccccc1
InChIInChI=1S/C18H22ClNO3/c1-13(21)10-20-11-15-8-16(19)18(17(9-15)22-2)23-12-14-6-4-3-5-7-14/h3-9,13,20-21H,10-12H2,1-2H3
InChIKeyIWUNAOOVPNSXST-UHFFFAOYSA-N
MW335.83 g/mol
LogP3.40
Rot. Bonds8

About 1-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylamino]propan-2-ol

1-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylamino]propan-2-ol (PubChem CID 4716264) has the molecular formula C18H22ClNO3 and a molecular weight of 335.83 g/mol. Its IUPAC name is 1-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylamino]propan-2-ol
PubChem CID4716264
Molecular FormulaC18H22ClNO3
Molecular Weight335.83 g/mol
Exact Mass335.13
IUPAC Name1-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylamino]propan-2-ol
SMILESCOc1cc(CNCC(C)O)cc(Cl)c1OCc1ccccc1
InChIInChI=1S/C18H22ClNO3/c1-13(21)10-20-11-15-8-16(19)18(17(9-15)22-2)23-12-14-6-4-3-5-7-14/h3-9,13,20-21H,10-12H2,1-2H3
InChIKeyIWUNAOOVPNSXST-UHFFFAOYSA-N
XLogP3.40
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.83
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylamino]propan-2-ol with MolForge

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Related Compounds

1-[[3-chloro-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methylamino]propan-2-ol;dihydrochloride
CID 17055939
1-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylamino]propan-2-ol
CID 4716208
1-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]propan-2-ol
CID 4717439
(2S)-1-[[3-chloro-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]propan-2-ol
CID 7248523
2-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylamino]ethanol;hydrochloride
CID 2958913
(2R)-1-[[3-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylamino]propan-2-ol
CID 29187953
(2R)-1-[[3-chloro-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 51997160
N-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-methylpropan-1-amine
CID 4717010
1-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]propan-2-ol;hydrochloride
CID 17290404
N-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methyl]heptan-1-amine
CID 4716931
N'-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methyl]-N-ethylpropane-1,3-diamine;dihydrochloride
CID 17215535
(2S)-1-[[3-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methylamino]propan-2-ol
CID 51996976

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylamino]propan-2-ol?
The IUPAC name of 1-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylamino]propan-2-ol (CID 4716264) is 1-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylamino]propan-2-ol.
What is the SMILES notation for 1-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylamino]propan-2-ol?
The canonical SMILES for 1-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylamino]propan-2-ol is COc1cc(CNCC(C)O)cc(Cl)c1OCc1ccccc1.
What is the InChIKey of 1-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylamino]propan-2-ol?
The InChIKey is IWUNAOOVPNSXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO3/c1-13(21)10-20-11-15-8-16(19)18(17(9-15)22-2)23-12-14-6-4-3-5-7-14/h3-9,13,20-21H,10-12H2,1-2H3.
What are the key properties of 1-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylamino]propan-2-ol?
1-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylamino]propan-2-ol has a molecular weight of 335.83 g/mol, XLogP of 3.40, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylamino]propan-2-ol is sourced from PubChem (CID 4716264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).