1-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol

C19H29FN2O2 — CID 110905244

IUPAC1-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol
SMILESCC1CN(CC(O)CN(Cc2cccc(F)c2)C2CC2)CC(C)O1
InChIInChI=1S/C19H29FN2O2/c1-14-9-21(10-15(2)24-14)12-19(23)13-22(18-6-7-18)11-16-4-3-5-17(20)8-16/h3-5,8,14-15,18-19,23H,6-7,9-13H2,1-2H3
InChIKeyVIPMKDJGTIRSBP-UHFFFAOYSA-N
MW336.45 g/mol
LogP2.26
Rot. Bonds7

About 1-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol

1-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol (PubChem CID 110905244) has the molecular formula C19H29FN2O2 and a molecular weight of 336.45 g/mol. Its IUPAC name is 1-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol.

Molecular Properties

Compound Name1-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol
PubChem CID110905244
Molecular FormulaC19H29FN2O2
Molecular Weight336.45 g/mol
Exact Mass336.22
IUPAC Name1-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol
SMILESCC1CN(CC(O)CN(Cc2cccc(F)c2)C2CC2)CC(C)O1
InChIInChI=1S/C19H29FN2O2/c1-14-9-21(10-15(2)24-14)12-19(23)13-22(18-6-7-18)11-16-4-3-5-17(20)8-16/h3-5,8,14-15,18-19,23H,6-7,9-13H2,1-2H3
InChIKeyVIPMKDJGTIRSBP-UHFFFAOYSA-N
XLogP2.26
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.45
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-3-(2,6-dimethylmorpholin-4-yl)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-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-3-morpholin-4-ylpropan-2-ol
CID 110898141
1-[3-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-2-hydroxypropyl]pyrrolidin-2-one
CID 111116420
1-(2,6-dimethylmorpholin-4-yl)-3-(3-fluorophenoxy)propan-2-ol
CID 59563430
1-[cyclopropyl-[(3-methylphenyl)methyl]amino]butan-2-ol
CID 24714412
1-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 24714141
1-[benzyl(2-hydroxyethyl)amino]-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 111106274
1-(2,6-dimethylmorpholin-4-yl)-3-[methyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]propan-2-ol
CID 111335526
1-(2,6-dimethylmorpholin-4-yl)-3-[5-(3-fluorophenyl)tetrazol-2-yl]propan-2-ol
CID 56799360
[4-[[cyclopropyl-[(3-fluorophenyl)methyl]amino]methyl]phenyl]methanol
CID 110008215
1,3-bis(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 70522448
1-(2,5-difluorophenoxy)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 109415726
N'-cyclopropyl-N'-[(3-fluorophenyl)methyl]propane-1,3-diamine
CID 43137498

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol?
The IUPAC name of 1-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol (CID 110905244) is 1-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol.
What is the SMILES notation for 1-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol?
The canonical SMILES for 1-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol is CC1CN(CC(O)CN(Cc2cccc(F)c2)C2CC2)CC(C)O1.
What is the InChIKey of 1-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol?
The InChIKey is VIPMKDJGTIRSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN2O2/c1-14-9-21(10-15(2)24-14)12-19(23)13-22(18-6-7-18)11-16-4-3-5-17(20)8-16/h3-5,8,14-15,18-19,23H,6-7,9-13H2,1-2H3.
What are the key properties of 1-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol?
1-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol has a molecular weight of 336.45 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol is sourced from PubChem (CID 110905244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).