N-[(4-fluorophenyl)methyl]-N-methyl-2-[2-(oxolan-2-yl)morpholin-4-yl]ethanamine

C18H27FN2O2 — CID 86799734

IUPACN-[(4-fluorophenyl)methyl]-N-methyl-2-[2-(oxolan-2-yl)morpholin-4-yl]ethanamine
SMILESCN(CCN1CCOC(C2CCCO2)C1)Cc1ccc(F)cc1
InChIInChI=1S/C18H27FN2O2/c1-20(13-15-4-6-16(19)7-5-15)8-9-21-10-12-23-18(14-21)17-3-2-11-22-17/h4-7,17-18H,2-3,8-14H2,1H3
InChIKeyUKVAQJNZHUUGGS-UHFFFAOYSA-N
MW322.42 g/mol
LogP2.14
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-N-methyl-2-[2-(oxolan-2-yl)morpholin-4-yl]ethanamine

N-[(4-fluorophenyl)methyl]-N-methyl-2-[2-(oxolan-2-yl)morpholin-4-yl]ethanamine (PubChem CID 86799734) has the molecular formula C18H27FN2O2 and a molecular weight of 322.42 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-methyl-2-[2-(oxolan-2-yl)morpholin-4-yl]ethanamine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-methyl-2-[2-(oxolan-2-yl)morpholin-4-yl]ethanamine
PubChem CID86799734
Molecular FormulaC18H27FN2O2
Molecular Weight322.42 g/mol
Exact Mass322.21
IUPAC NameN-[(4-fluorophenyl)methyl]-N-methyl-2-[2-(oxolan-2-yl)morpholin-4-yl]ethanamine
SMILESCN(CCN1CCOC(C2CCCO2)C1)Cc1ccc(F)cc1
InChIInChI=1S/C18H27FN2O2/c1-20(13-15-4-6-16(19)7-5-15)8-9-21-10-12-23-18(14-21)17-3-2-11-22-17/h4-7,17-18H,2-3,8-14H2,1H3
InChIKeyUKVAQJNZHUUGGS-UHFFFAOYSA-N
XLogP2.14
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Benzyl-4-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)piperazine
CID 127026552
(3S,3aS,7aR)-1-[(2-fluorophenyl)methyl]-3-methoxy-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 97461483
(5S,6S)-8-[(4-fluorophenyl)methyl]-6-methoxy-1-oxa-8-azaspiro[4.5]decane
CID 110156017
(5S,6S)-8-[(2,5-difluorophenyl)methyl]-6-methoxy-1-oxa-8-azaspiro[4.5]decane
CID 110156319
(5S,9S)-7-[(2-fluorophenyl)methyl]-9-methoxy-1-oxa-7-azaspiro[4.4]nonane
CID 110159354
(5S,9S)-7-[(3,4-difluorophenyl)methyl]-9-methoxy-1-oxa-7-azaspiro[4.4]nonane
CID 118740349
3-Ethoxy-8-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane
CID 118742391
8-[(2-Fluorophenyl)methyl]-3-methoxy-1-oxa-8-azaspiro[4.5]decane
CID 118743845
3-Ethoxy-8-[(3-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane
CID 118743998
8-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-N-methyl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 118746817
8-[(4-Fluorophenyl)methyl]-3-(4-methylpiperazin-1-yl)-1-oxa-8-azaspiro[4.5]decane
CID 118747191
1-[(4-Fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol
CID 24713378

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-2-[2-(oxolan-2-yl)morpholin-4-yl]ethanamine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-2-[2-(oxolan-2-yl)morpholin-4-yl]ethanamine (CID 86799734) is N-[(4-fluorophenyl)methyl]-N-methyl-2-[2-(oxolan-2-yl)morpholin-4-yl]ethanamine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-methyl-2-[2-(oxolan-2-yl)morpholin-4-yl]ethanamine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-methyl-2-[2-(oxolan-2-yl)morpholin-4-yl]ethanamine is CN(CCN1CCOC(C2CCCO2)C1)Cc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-methyl-2-[2-(oxolan-2-yl)morpholin-4-yl]ethanamine?
The InChIKey is UKVAQJNZHUUGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O2/c1-20(13-15-4-6-16(19)7-5-15)8-9-21-10-12-23-18(14-21)17-3-2-11-22-17/h4-7,17-18H,2-3,8-14H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-methyl-2-[2-(oxolan-2-yl)morpholin-4-yl]ethanamine?
N-[(4-fluorophenyl)methyl]-N-methyl-2-[2-(oxolan-2-yl)morpholin-4-yl]ethanamine has a molecular weight of 322.42 g/mol, XLogP of 2.14, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-methyl-2-[2-(oxolan-2-yl)morpholin-4-yl]ethanamine is sourced from PubChem (CID 86799734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).