2-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol

C19H24FNO3 — CID 4722183

IUPAC2-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol
SMILESCCC(CO)NCc1cccc(OC)c1OCc1ccc(F)cc1
InChIInChI=1S/C19H24FNO3/c1-3-17(12-22)21-11-15-5-4-6-18(23-2)19(15)24-13-14-7-9-16(20)10-8-14/h4-10,17,21-22H,3,11-13H2,1-2H3
InChIKeyMTWBLMTWDALRNL-UHFFFAOYSA-N
MW333.40 g/mol
LogP3.27
Rot. Bonds9

About 2-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol

2-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol (PubChem CID 4722183) has the molecular formula C19H24FNO3 and a molecular weight of 333.40 g/mol. Its IUPAC name is 2-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol.

Molecular Properties

Compound Name2-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol
PubChem CID4722183
Molecular FormulaC19H24FNO3
Molecular Weight333.40 g/mol
Exact Mass333.17
IUPAC Name2-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol
SMILESCCC(CO)NCc1cccc(OC)c1OCc1ccc(F)cc1
InChIInChI=1S/C19H24FNO3/c1-3-17(12-22)21-11-15-5-4-6-18(23-2)19(15)24-13-14-7-9-16(20)10-8-14/h4-10,17,21-22H,3,11-13H2,1-2H3
InChIKeyMTWBLMTWDALRNL-UHFFFAOYSA-N
XLogP3.27
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol
CID 29186553
2-[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol
CID 17054600
2-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]butan-1-ol
CID 4716006
(2S)-2-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol
CID 40726440
(2S)-2-[[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol
CID 51988439
N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]butan-2-amine;hydrochloride
CID 17291397
(2S)-2-[(2,3-dimethoxyphenyl)methylamino]butan-1-ol
CID 7061563
2-[[3-methoxy-2-(2-methylpropoxy)phenyl]methylamino]butan-1-ol
CID 54849183
2-[[3-ethoxy-2-[(4-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol;hydrochloride
CID 17054714
2-[[3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]butan-1-ol
CID 4716048
2-[2-[(1-hydroxybutan-2-ylamino)methyl]-6-methoxyphenoxy]acetic acid
CID 102535747
2-[(2-butan-2-yloxy-3-methoxyphenyl)methylamino]butan-1-ol
CID 54849236

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol?
The IUPAC name of 2-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol (CID 4722183) is 2-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol.
What is the SMILES notation for 2-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol?
The canonical SMILES for 2-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol is CCC(CO)NCc1cccc(OC)c1OCc1ccc(F)cc1.
What is the InChIKey of 2-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol?
The InChIKey is MTWBLMTWDALRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FNO3/c1-3-17(12-22)21-11-15-5-4-6-18(23-2)19(15)24-13-14-7-9-16(20)10-8-14/h4-10,17,21-22H,3,11-13H2,1-2H3.
What are the key properties of 2-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol?
2-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol has a molecular weight of 333.40 g/mol, XLogP of 3.27, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol is sourced from PubChem (CID 4722183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).