(2R)-1-[(4-fluorophenyl)methyl-propan-2-ylamino]-3-(2-methylphenoxy)propan-2-ol

C20H26FNO2 — CID 93164105

IUPAC(2R)-1-[(4-fluorophenyl)methyl-propan-2-ylamino]-3-(2-methylphenoxy)propan-2-ol
SMILESCc1ccccc1OC[C@H](O)CN(Cc1ccc(F)cc1)C(C)C
InChIInChI=1S/C20H26FNO2/c1-15(2)22(12-17-8-10-18(21)11-9-17)13-19(23)14-24-20-7-5-4-6-16(20)3/h4-11,15,19,23H,12-14H2,1-3H3/t19-/m1/s1
InChIKeyFTRHOUABDLLNBQ-LJQANCHMSA-N
MW331.43 g/mol
LogP3.78
Rot. Bonds8

About (2R)-1-[(4-fluorophenyl)methyl-propan-2-ylamino]-3-(2-methylphenoxy)propan-2-ol

(2R)-1-[(4-fluorophenyl)methyl-propan-2-ylamino]-3-(2-methylphenoxy)propan-2-ol (PubChem CID 93164105) has the molecular formula C20H26FNO2 and a molecular weight of 331.43 g/mol. Its IUPAC name is (2R)-1-[(4-fluorophenyl)methyl-propan-2-ylamino]-3-(2-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(4-fluorophenyl)methyl-propan-2-ylamino]-3-(2-methylphenoxy)propan-2-ol
PubChem CID93164105
Molecular FormulaC20H26FNO2
Molecular Weight331.43 g/mol
Exact Mass331.19
IUPAC Name(2R)-1-[(4-fluorophenyl)methyl-propan-2-ylamino]-3-(2-methylphenoxy)propan-2-ol
SMILESCc1ccccc1OC[C@H](O)CN(Cc1ccc(F)cc1)C(C)C
InChIInChI=1S/C20H26FNO2/c1-15(2)22(12-17-8-10-18(21)11-9-17)13-19(23)14-24-20-7-5-4-6-16(20)3/h4-11,15,19,23H,12-14H2,1-3H3/t19-/m1/s1
InChIKeyFTRHOUABDLLNBQ-LJQANCHMSA-N
XLogP3.78
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.43
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-1-[(4-fluorophenyl)methyl-propan-2-ylamino]-3-(2-methylphenoxy)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[butan-2-yl-[(4-methoxyphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 46007607
1-[benzyl(methyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 117067141
1-[(2,4-difluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 46007941
1-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 46007797
1-(2-methylphenoxy)-3-[(4-methylphenyl)methyl-(2-methylpropyl)amino]propan-2-ol
CID 24717275
1-[benzyl-[(3-fluorophenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 46007957
(2S)-1-[benzyl-[(3-fluorophenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 93164915
(2R)-1-[benzyl-[(4-methylphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 93163727
(2R)-1-[[(2S)-butan-2-yl]-[(3-methylphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 99732486
(2R)-1-[[(2R)-butan-2-yl]-[(2-methylphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 99732501
1-[(4-fluorophenyl)methylamino]-3-(2-methylphenoxy)propan-2-ol
CID 60632137
1-[bis(2-methylpropyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 2915985

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(4-fluorophenyl)methyl-propan-2-ylamino]-3-(2-methylphenoxy)propan-2-ol?
The IUPAC name of (2R)-1-[(4-fluorophenyl)methyl-propan-2-ylamino]-3-(2-methylphenoxy)propan-2-ol (CID 93164105) is (2R)-1-[(4-fluorophenyl)methyl-propan-2-ylamino]-3-(2-methylphenoxy)propan-2-ol.
What is the SMILES notation for (2R)-1-[(4-fluorophenyl)methyl-propan-2-ylamino]-3-(2-methylphenoxy)propan-2-ol?
The canonical SMILES for (2R)-1-[(4-fluorophenyl)methyl-propan-2-ylamino]-3-(2-methylphenoxy)propan-2-ol is Cc1ccccc1OC[C@H](O)CN(Cc1ccc(F)cc1)C(C)C.
What is the InChIKey of (2R)-1-[(4-fluorophenyl)methyl-propan-2-ylamino]-3-(2-methylphenoxy)propan-2-ol?
The InChIKey is FTRHOUABDLLNBQ-LJQANCHMSA-N. The full InChI is InChI=1S/C20H26FNO2/c1-15(2)22(12-17-8-10-18(21)11-9-17)13-19(23)14-24-20-7-5-4-6-16(20)3/h4-11,15,19,23H,12-14H2,1-3H3/t19-/m1/s1.
What are the key properties of (2R)-1-[(4-fluorophenyl)methyl-propan-2-ylamino]-3-(2-methylphenoxy)propan-2-ol?
(2R)-1-[(4-fluorophenyl)methyl-propan-2-ylamino]-3-(2-methylphenoxy)propan-2-ol has a molecular weight of 331.43 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(4-fluorophenyl)methyl-propan-2-ylamino]-3-(2-methylphenoxy)propan-2-ol is sourced from PubChem (CID 93164105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).