2-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]-2-methylpropan-1-ol

C19H22Cl2FNO3 — CID 66530003

IUPAC2-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]-2-methylpropan-1-ol
SMILESCOc1cc(CNC(C)(C)CO)c(Cl)cc1OCc1c(F)cccc1Cl
InChIInChI=1S/C19H22Cl2FNO3/c1-19(2,11-24)23-9-12-7-17(25-3)18(8-15(12)21)26-10-13-14(20)5-4-6-16(13)22/h4-8,23-24H,9-11H2,1-3H3
InChIKeyCOIQDUZWYNCPKM-UHFFFAOYSA-N
MW402.29 g/mol
LogP4.58
Rot. Bonds8

About 2-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]-2-methylpropan-1-ol

2-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]-2-methylpropan-1-ol (PubChem CID 66530003) has the molecular formula C19H22Cl2FNO3 and a molecular weight of 402.29 g/mol. Its IUPAC name is 2-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]-2-methylpropan-1-ol
PubChem CID66530003
Molecular FormulaC19H22Cl2FNO3
Molecular Weight402.29 g/mol
Exact Mass401.10
IUPAC Name2-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]-2-methylpropan-1-ol
SMILESCOc1cc(CNC(C)(C)CO)c(Cl)cc1OCc1c(F)cccc1Cl
InChIInChI=1S/C19H22Cl2FNO3/c1-19(2,11-24)23-9-12-7-17(25-3)18(8-15(12)21)26-10-13-14(20)5-4-6-16(13)22/h4-8,23-24H,9-11H2,1-3H3
InChIKeyCOIQDUZWYNCPKM-UHFFFAOYSA-N
XLogP4.58
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.29
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dichloro-4-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]phenol
CID 66540222
2-[2-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]ethylamino]ethanol
CID 66537733
2-[3-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]propylamino]ethanol
CID 66537743
2-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]butan-1-ol
CID 66530031
N-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-3-methylbutan-1-amine
CID 66530086
N-[[2-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-4-fluoroaniline
CID 66540399
N-[[2-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2-methylbutan-2-amine
CID 66531646
4-chloro-N-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-ethoxyphenyl]methyl]aniline
CID 66540824
N-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-3,5-dimethyladamantan-1-amine
CID 66530001
N-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2-(3,4-dimethoxyphenyl)ethanamine
CID 66531671
N-[4-[[2-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methylamino]phenyl]acetamide
CID 66540435
N-[[2-bromo-4-[(2-chloro-6-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-3-chloro-4-fluoroaniline
CID 66542973

Frequently Asked Questions

What is the IUPAC name of 2-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]-2-methylpropan-1-ol?
The IUPAC name of 2-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]-2-methylpropan-1-ol (CID 66530003) is 2-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]-2-methylpropan-1-ol is COc1cc(CNC(C)(C)CO)c(Cl)cc1OCc1c(F)cccc1Cl.
What is the InChIKey of 2-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]-2-methylpropan-1-ol?
The InChIKey is COIQDUZWYNCPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2FNO3/c1-19(2,11-24)23-9-12-7-17(25-3)18(8-15(12)21)26-10-13-14(20)5-4-6-16(13)22/h4-8,23-24H,9-11H2,1-3H3.
What are the key properties of 2-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]-2-methylpropan-1-ol?
2-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]-2-methylpropan-1-ol has a molecular weight of 402.29 g/mol, XLogP of 4.58, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]-2-methylpropan-1-ol is sourced from PubChem (CID 66530003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).