1-[cyclopropyl-[2-(3-fluorophenyl)ethyl]amino]-3-morpholin-4-ylpropan-2-ol

C18H27FN2O2 — CID 111165992

IUPAC1-[cyclopropyl-[2-(3-fluorophenyl)ethyl]amino]-3-morpholin-4-ylpropan-2-ol
SMILESOC(CN1CCOCC1)CN(CCc1cccc(F)c1)C1CC1
InChIInChI=1S/C18H27FN2O2/c19-16-3-1-2-15(12-16)6-7-21(17-4-5-17)14-18(22)13-20-8-10-23-11-9-20/h1-3,12,17-18,22H,4-11,13-14H2
InChIKeyKYKAUFZWVIISPZ-UHFFFAOYSA-N
MW322.42 g/mol
LogP1.53
Rot. Bonds8

About 1-[cyclopropyl-[2-(3-fluorophenyl)ethyl]amino]-3-morpholin-4-ylpropan-2-ol

1-[cyclopropyl-[2-(3-fluorophenyl)ethyl]amino]-3-morpholin-4-ylpropan-2-ol (PubChem CID 111165992) has the molecular formula C18H27FN2O2 and a molecular weight of 322.42 g/mol. Its IUPAC name is 1-[cyclopropyl-[2-(3-fluorophenyl)ethyl]amino]-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-[cyclopropyl-[2-(3-fluorophenyl)ethyl]amino]-3-morpholin-4-ylpropan-2-ol
PubChem CID111165992
Molecular FormulaC18H27FN2O2
Molecular Weight322.42 g/mol
Exact Mass322.21
IUPAC Name1-[cyclopropyl-[2-(3-fluorophenyl)ethyl]amino]-3-morpholin-4-ylpropan-2-ol
SMILESOC(CN1CCOCC1)CN(CCc1cccc(F)c1)C1CC1
InChIInChI=1S/C18H27FN2O2/c19-16-3-1-2-15(12-16)6-7-21(17-4-5-17)14-18(22)13-20-8-10-23-11-9-20/h1-3,12,17-18,22H,4-11,13-14H2
InChIKeyKYKAUFZWVIISPZ-UHFFFAOYSA-N
XLogP1.53
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-(2-Phenylethyl)-4-piperidinyl](propyl)amino]ethanol
CID 4371773
3-(2,4-difluorophenyl)-N,N-dimethyl-3-morpholin-4-ylpropan-1-amine
CID 54765508
4-Morpholineethanol, alpha-(p-fluorostyryl)-, hydrochloride
CID 6447684
3-(4-fluorophenyl)-N,N-dimethyl-3-morpholin-4-ylpropan-1-amine
CID 118714023
4-[2-(4-Fluorophenyl)ethyl]morpholine
CID 100965302
4-[(1R,2S)-2-(4-fluorophenyl)-2-methylcyclopropyl]morpholine
CID 132570899
4-[(2R)-2-fluoro-2-phenylethyl]morpholine
CID 134934166
4-(1-Fluoro-4-phenylbutan-2-yl)morpholine
CID 177853335
4-[1-(2-Phenylethyl)-4-piperidinyl]morpholine
CID 2053553
1'-(2-Phenylethyl)-1,4'-bipiperidin-3-ol
CID 2846609
trans-4-Ethoxy-1-[1-(2-phenylethyl)piperidin-4-yl]pyrrolidin-3-ol
CID 91763718
2-Morpholino-3-phenylpropan-1-ol
CID 73804103

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl-[2-(3-fluorophenyl)ethyl]amino]-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of 1-[cyclopropyl-[2-(3-fluorophenyl)ethyl]amino]-3-morpholin-4-ylpropan-2-ol (CID 111165992) is 1-[cyclopropyl-[2-(3-fluorophenyl)ethyl]amino]-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for 1-[cyclopropyl-[2-(3-fluorophenyl)ethyl]amino]-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for 1-[cyclopropyl-[2-(3-fluorophenyl)ethyl]amino]-3-morpholin-4-ylpropan-2-ol is OC(CN1CCOCC1)CN(CCc1cccc(F)c1)C1CC1.
What is the InChIKey of 1-[cyclopropyl-[2-(3-fluorophenyl)ethyl]amino]-3-morpholin-4-ylpropan-2-ol?
The InChIKey is KYKAUFZWVIISPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O2/c19-16-3-1-2-15(12-16)6-7-21(17-4-5-17)14-18(22)13-20-8-10-23-11-9-20/h1-3,12,17-18,22H,4-11,13-14H2.
What are the key properties of 1-[cyclopropyl-[2-(3-fluorophenyl)ethyl]amino]-3-morpholin-4-ylpropan-2-ol?
1-[cyclopropyl-[2-(3-fluorophenyl)ethyl]amino]-3-morpholin-4-ylpropan-2-ol has a molecular weight of 322.42 g/mol, XLogP of 1.53, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropyl-[2-(3-fluorophenyl)ethyl]amino]-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 111165992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).