1-(3-fluorophenyl)-N-(oxan-4-ylmethyl)ethanamine

C14H20FNO — CID 62386409

IUPAC1-(3-fluorophenyl)-N-(oxan-4-ylmethyl)ethanamine
SMILESCC(NCC1CCOCC1)c1cccc(F)c1
InChIInChI=1S/C14H20FNO/c1-11(13-3-2-4-14(15)9-13)16-10-12-5-7-17-8-6-12/h2-4,9,11-12,16H,5-8,10H2,1H3
InChIKeyMSQGKCRHHFPIGL-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.90
Rot. Bonds4

About 1-(3-fluorophenyl)-N-(oxan-4-ylmethyl)ethanamine

1-(3-fluorophenyl)-N-(oxan-4-ylmethyl)ethanamine (PubChem CID 62386409) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-(oxan-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-(oxan-4-ylmethyl)ethanamine
PubChem CID62386409
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name1-(3-fluorophenyl)-N-(oxan-4-ylmethyl)ethanamine
SMILESCC(NCC1CCOCC1)c1cccc(F)c1
InChIInChI=1S/C14H20FNO/c1-11(13-3-2-4-14(15)9-13)16-10-12-5-7-17-8-6-12/h2-4,9,11-12,16H,5-8,10H2,1H3
InChIKeyMSQGKCRHHFPIGL-UHFFFAOYSA-N
XLogP2.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(3-fluorophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 81369388
(1S)-1-(3-fluorophenyl)-N-(piperidin-4-ylmethyl)ethanamine
CID 81364808
(1S)-1-(3-fluorophenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 81365320
(1S)-1-(3-methoxyphenyl)-N-(oxan-4-ylmethyl)ethanamine
CID 81376149
(1R)-1-(3-methoxyphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 81376792
1-(3-fluorophenyl)-1-(oxan-4-ylmethoxy)propan-2-amine
CID 55066001
(1S)-1-(3-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106638924
N-(cyclopropylmethyl)-2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetamide
CID 81365357
N-(oxolan-3-ylmethyl)-1-(3-propan-2-yloxyphenyl)ethanamine
CID 43694691
5-[[1-(3-fluorophenyl)ethylamino]methyl]pyrrolidin-2-one
CID 60726591
1-(3-fluorophenyl)-2-(oxan-4-yl)ethanamine;hydrochloride
CID 131637584
(1S)-1-(3-fluorophenyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
CID 81365361

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-(oxan-4-ylmethyl)ethanamine?
The IUPAC name of 1-(3-fluorophenyl)-N-(oxan-4-ylmethyl)ethanamine (CID 62386409) is 1-(3-fluorophenyl)-N-(oxan-4-ylmethyl)ethanamine.
What is the SMILES notation for 1-(3-fluorophenyl)-N-(oxan-4-ylmethyl)ethanamine?
The canonical SMILES for 1-(3-fluorophenyl)-N-(oxan-4-ylmethyl)ethanamine is CC(NCC1CCOCC1)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-N-(oxan-4-ylmethyl)ethanamine?
The InChIKey is MSQGKCRHHFPIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-11(13-3-2-4-14(15)9-13)16-10-12-5-7-17-8-6-12/h2-4,9,11-12,16H,5-8,10H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-N-(oxan-4-ylmethyl)ethanamine?
1-(3-fluorophenyl)-N-(oxan-4-ylmethyl)ethanamine has a molecular weight of 237.32 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-(oxan-4-ylmethyl)ethanamine is sourced from PubChem (CID 62386409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).