(2R)-2-[[3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylamino]butan-1-ol

C20H25ClFNO3 — CID 40726832

IUPAC(2R)-2-[[3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylamino]butan-1-ol
SMILESCCOc1cc(CN[C@H](CC)CO)cc(Cl)c1OCc1ccccc1F
InChIInChI=1S/C20H25ClFNO3/c1-3-16(12-24)23-11-14-9-17(21)20(19(10-14)25-4-2)26-13-15-7-5-6-8-18(15)22/h5-10,16,23-24H,3-4,11-13H2,1-2H3/t16-/m1/s1
InChIKeyIHYFIERXHWKXRY-MRXNPFEDSA-N
MW381.88 g/mol
LogP4.32
Rot. Bonds10

About (2R)-2-[[3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylamino]butan-1-ol

(2R)-2-[[3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylamino]butan-1-ol (PubChem CID 40726832) has the molecular formula C20H25ClFNO3 and a molecular weight of 381.88 g/mol. Its IUPAC name is (2R)-2-[[3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylamino]butan-1-ol.

Molecular Properties

Compound Name(2R)-2-[[3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylamino]butan-1-ol
PubChem CID40726832
Molecular FormulaC20H25ClFNO3
Molecular Weight381.88 g/mol
Exact Mass381.15
IUPAC Name(2R)-2-[[3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylamino]butan-1-ol
SMILESCCOc1cc(CN[C@H](CC)CO)cc(Cl)c1OCc1ccccc1F
InChIInChI=1S/C20H25ClFNO3/c1-3-16(12-24)23-11-14-9-17(21)20(19(10-14)25-4-2)26-13-15-7-5-6-8-18(15)22/h5-10,16,23-24H,3-4,11-13H2,1-2H3/t16-/m1/s1
InChIKeyIHYFIERXHWKXRY-MRXNPFEDSA-N
XLogP4.32
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.88
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[[3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylamino]butan-1-ol with MolForge

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Related Compounds

N-[[3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl]butan-2-amine
CID 4717107
2-[(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylamino]butan-1-ol
CID 4722188
2-[(3-chloro-4,5-diethoxyphenyl)methylamino]butan-1-ol
CID 4717396
(2S)-2-[[3-chloro-4-[(3,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]butan-1-ol
CID 51995108
2-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]butan-1-ol
CID 4716038
N-[[3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-(2-fluorophenyl)ethanamine
CID 4718662
N-[[3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-phenylbutan-2-amine
CID 17211211
2-[[3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-2-methylpropan-1-ol
CID 4715486
2-[[3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-4-methylpentanoic acid
CID 66527655
(2S)-2-[[3-bromo-4-[(2-chloro-6-fluorophenyl)methoxy]-5-ethoxyphenyl]methylamino]butan-1-ol
CID 51994496
(2R)-2-[[3-bromo-5-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol
CID 51994305
(2R)-2-[[2-[(2-fluorophenyl)methoxy]phenyl]methylamino]butan-1-ol
CID 40727318

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylamino]butan-1-ol?
The IUPAC name of (2R)-2-[[3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylamino]butan-1-ol (CID 40726832) is (2R)-2-[[3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylamino]butan-1-ol.
What is the SMILES notation for (2R)-2-[[3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylamino]butan-1-ol?
The canonical SMILES for (2R)-2-[[3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylamino]butan-1-ol is CCOc1cc(CN[C@H](CC)CO)cc(Cl)c1OCc1ccccc1F.
What is the InChIKey of (2R)-2-[[3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylamino]butan-1-ol?
The InChIKey is IHYFIERXHWKXRY-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H25ClFNO3/c1-3-16(12-24)23-11-14-9-17(21)20(19(10-14)25-4-2)26-13-15-7-5-6-8-18(15)22/h5-10,16,23-24H,3-4,11-13H2,1-2H3/t16-/m1/s1.
What are the key properties of (2R)-2-[[3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylamino]butan-1-ol?
(2R)-2-[[3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylamino]butan-1-ol has a molecular weight of 381.88 g/mol, XLogP of 4.32, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylamino]butan-1-ol is sourced from PubChem (CID 40726832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).