2-(3-fluoro-4-methoxyphenyl)-N-(morpholin-2-ylmethyl)ethanamine

C14H21FN2O2 — CID 115237709

IUPAC2-(3-fluoro-4-methoxyphenyl)-N-(morpholin-2-ylmethyl)ethanamine
SMILESCOc1ccc(CCNCC2CNCCO2)cc1F
InChIInChI=1S/C14H21FN2O2/c1-18-14-3-2-11(8-13(14)15)4-5-16-9-12-10-17-6-7-19-12/h2-3,8,12,16-17H,4-7,9-10H2,1H3
InChIKeyVNHOGVYQFBKXMW-UHFFFAOYSA-N
MW268.33 g/mol
LogP0.95
Rot. Bonds6

About 2-(3-fluoro-4-methoxyphenyl)-N-(morpholin-2-ylmethyl)ethanamine

2-(3-fluoro-4-methoxyphenyl)-N-(morpholin-2-ylmethyl)ethanamine (PubChem CID 115237709) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)-N-(morpholin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)-N-(morpholin-2-ylmethyl)ethanamine
PubChem CID115237709
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name2-(3-fluoro-4-methoxyphenyl)-N-(morpholin-2-ylmethyl)ethanamine
SMILESCOc1ccc(CCNCC2CNCCO2)cc1F
InChIInChI=1S/C14H21FN2O2/c1-18-14-3-2-11(8-13(14)15)4-5-16-9-12-10-17-6-7-19-12/h2-3,8,12,16-17H,4-7,9-10H2,1H3
InChIKeyVNHOGVYQFBKXMW-UHFFFAOYSA-N
XLogP0.95
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(3-fluoro-4-methoxyphenyl)methyl]-2-morpholin-2-ylethanamine
CID 115239190
2-(3-fluoro-4-methoxyphenyl)-N-(pyrrolidin-3-ylmethyl)ethanamine
CID 115208972
2-(4-ethylphenyl)-N-(morpholin-2-ylmethyl)ethanamine
CID 115237698
2-[(3-fluoro-4-methoxyphenyl)methyl]-1,4-oxazepane
CID 90877171
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-morpholin-2-ylacetamide
CID 119675375
N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 43090303
N-[2-(3-fluoro-4-methoxyphenyl)ethyl]piperidin-3-amine
CID 115118227
N-[(4-methoxyphenyl)methyl]-1-morpholin-2-ylmethanamine
CID 115237605
1-(3-fluoro-4-methoxyphenyl)-2-morpholin-2-ylethanamine
CID 116941576
N'-[2-(3-fluoro-4-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 115195380
N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 78943139
2-(3-chloro-4-methoxyphenyl)-N-(pyrrolidin-3-ylmethyl)ethanamine
CID 115208973

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-N-(morpholin-2-ylmethyl)ethanamine?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-N-(morpholin-2-ylmethyl)ethanamine (CID 115237709) is 2-(3-fluoro-4-methoxyphenyl)-N-(morpholin-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)-N-(morpholin-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)-N-(morpholin-2-ylmethyl)ethanamine is COc1ccc(CCNCC2CNCCO2)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)-N-(morpholin-2-ylmethyl)ethanamine?
The InChIKey is VNHOGVYQFBKXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-18-14-3-2-11(8-13(14)15)4-5-16-9-12-10-17-6-7-19-12/h2-3,8,12,16-17H,4-7,9-10H2,1H3.
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)-N-(morpholin-2-ylmethyl)ethanamine?
2-(3-fluoro-4-methoxyphenyl)-N-(morpholin-2-ylmethyl)ethanamine has a molecular weight of 268.33 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyphenyl)-N-(morpholin-2-ylmethyl)ethanamine is sourced from PubChem (CID 115237709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).