(2S)-1-[(2,4-difluorophenyl)methyl-propylamino]-3-(4-methoxyphenoxy)propan-2-ol

C20H25F2NO3 — CID 93162660

IUPAC(2S)-1-[(2,4-difluorophenyl)methyl-propylamino]-3-(4-methoxyphenoxy)propan-2-ol
SMILESCCCN(Cc1ccc(F)cc1F)C[C@H](O)COc1ccc(OC)cc1
InChIInChI=1S/C20H25F2NO3/c1-3-10-23(12-15-4-5-16(21)11-20(15)22)13-17(24)14-26-19-8-6-18(25-2)7-9-19/h4-9,11,17,24H,3,10,12-14H2,1-2H3/t17-/m0/s1
InChIKeyWZRPSDPIEAUDCU-KRWDZBQOSA-N
MW365.42 g/mol
LogP3.63
Rot. Bonds10

About (2S)-1-[(2,4-difluorophenyl)methyl-propylamino]-3-(4-methoxyphenoxy)propan-2-ol

(2S)-1-[(2,4-difluorophenyl)methyl-propylamino]-3-(4-methoxyphenoxy)propan-2-ol (PubChem CID 93162660) has the molecular formula C20H25F2NO3 and a molecular weight of 365.42 g/mol. Its IUPAC name is (2S)-1-[(2,4-difluorophenyl)methyl-propylamino]-3-(4-methoxyphenoxy)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(2,4-difluorophenyl)methyl-propylamino]-3-(4-methoxyphenoxy)propan-2-ol
PubChem CID93162660
Molecular FormulaC20H25F2NO3
Molecular Weight365.42 g/mol
Exact Mass365.18
IUPAC Name(2S)-1-[(2,4-difluorophenyl)methyl-propylamino]-3-(4-methoxyphenoxy)propan-2-ol
SMILESCCCN(Cc1ccc(F)cc1F)C[C@H](O)COc1ccc(OC)cc1
InChIInChI=1S/C20H25F2NO3/c1-3-10-23(12-15-4-5-16(21)11-20(15)22)13-17(24)14-26-19-8-6-18(25-2)7-9-19/h4-9,11,17,24H,3,10,12-14H2,1-2H3/t17-/m0/s1
InChIKeyWZRPSDPIEAUDCU-KRWDZBQOSA-N
XLogP3.63
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2,4-difluorophenyl)methyl-(furan-2-ylmethyl)amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 46007913
(2R)-1-[benzyl-[(2,4-difluorophenyl)methyl]amino]-3-phenoxypropan-2-ol
CID 93164801
1-[(2,4-difluorophenyl)methyl-methylamino]-3-(4-methylphenoxy)propan-2-ol
CID 134001793
1-(2,4-difluoro-N-methylanilino)-3-(4-methoxyphenoxy)propan-2-ol
CID 3786729
(2S)-1-[(4-methoxyphenyl)methyl-propylamino]-3-phenoxypropan-2-ol
CID 93160592
1-[(4-methoxyphenyl)methyl-propylamino]-3-phenoxypropan-2-ol
CID 24717288
(2R)-1-[(2,4-difluorophenyl)methyl-(2-methoxyethyl)amino]-3-propan-2-yloxypropan-2-ol
CID 93162626
1-[(2,4-difluorophenyl)methyl-propan-2-ylamino]-3-phenoxypropan-2-ol
CID 42682400
[(2S)-3-[(2,4-difluorophenyl)methyl-(2-methoxyethyl)amino]-2-hydroxypropyl] butanoate
CID 93162641
1-[(2,4-difluorophenyl)methyl-(3-methylbutyl)amino]-3-prop-2-ynoxypropan-2-ol
CID 42837102
1-[(2,4-difluorophenyl)methyl-(3-methoxypropyl)amino]-3-prop-2-ynoxypropan-2-ol
CID 24713954
N-(2-chloroethyl)-N-[(2-fluoro-4-methoxyphenyl)methyl]propan-1-amine
CID 102878826

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2,4-difluorophenyl)methyl-propylamino]-3-(4-methoxyphenoxy)propan-2-ol?
The IUPAC name of (2S)-1-[(2,4-difluorophenyl)methyl-propylamino]-3-(4-methoxyphenoxy)propan-2-ol (CID 93162660) is (2S)-1-[(2,4-difluorophenyl)methyl-propylamino]-3-(4-methoxyphenoxy)propan-2-ol.
What is the SMILES notation for (2S)-1-[(2,4-difluorophenyl)methyl-propylamino]-3-(4-methoxyphenoxy)propan-2-ol?
The canonical SMILES for (2S)-1-[(2,4-difluorophenyl)methyl-propylamino]-3-(4-methoxyphenoxy)propan-2-ol is CCCN(Cc1ccc(F)cc1F)C[C@H](O)COc1ccc(OC)cc1.
What is the InChIKey of (2S)-1-[(2,4-difluorophenyl)methyl-propylamino]-3-(4-methoxyphenoxy)propan-2-ol?
The InChIKey is WZRPSDPIEAUDCU-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H25F2NO3/c1-3-10-23(12-15-4-5-16(21)11-20(15)22)13-17(24)14-26-19-8-6-18(25-2)7-9-19/h4-9,11,17,24H,3,10,12-14H2,1-2H3/t17-/m0/s1.
What are the key properties of (2S)-1-[(2,4-difluorophenyl)methyl-propylamino]-3-(4-methoxyphenoxy)propan-2-ol?
(2S)-1-[(2,4-difluorophenyl)methyl-propylamino]-3-(4-methoxyphenoxy)propan-2-ol has a molecular weight of 365.42 g/mol, XLogP of 3.63, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2,4-difluorophenyl)methyl-propylamino]-3-(4-methoxyphenoxy)propan-2-ol is sourced from PubChem (CID 93162660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).