N-[(3-fluoro-4-methoxyphenyl)methyl]-2-morpholin-3-ylethanamine

C14H21FN2O2 — CID 115238945

IUPACN-[(3-fluoro-4-methoxyphenyl)methyl]-2-morpholin-3-ylethanamine
SMILESCOc1ccc(CNCCC2COCCN2)cc1F
InChIInChI=1S/C14H21FN2O2/c1-18-14-3-2-11(8-13(14)15)9-16-5-4-12-10-19-7-6-17-12/h2-3,8,12,16-17H,4-7,9-10H2,1H3
InChIKeyQUWNKHAASFFPPI-UHFFFAOYSA-N
MW268.33 g/mol
LogP1.30
Rot. Bonds6

About N-[(3-fluoro-4-methoxyphenyl)methyl]-2-morpholin-3-ylethanamine

N-[(3-fluoro-4-methoxyphenyl)methyl]-2-morpholin-3-ylethanamine (PubChem CID 115238945) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is N-[(3-fluoro-4-methoxyphenyl)methyl]-2-morpholin-3-ylethanamine.

Molecular Properties

Compound NameN-[(3-fluoro-4-methoxyphenyl)methyl]-2-morpholin-3-ylethanamine
PubChem CID115238945
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC NameN-[(3-fluoro-4-methoxyphenyl)methyl]-2-morpholin-3-ylethanamine
SMILESCOc1ccc(CNCCC2COCCN2)cc1F
InChIInChI=1S/C14H21FN2O2/c1-18-14-3-2-11(8-13(14)15)9-16-5-4-12-10-19-7-6-17-12/h2-3,8,12,16-17H,4-7,9-10H2,1H3
InChIKeyQUWNKHAASFFPPI-UHFFFAOYSA-N
XLogP1.30
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 ≤ 51.30
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-[(4-methoxyphenyl)methyl]-2-morpholin-3-ylethanamine
CID 115238941
N-[(2-methoxyphenyl)methyl]-2-morpholin-3-ylethanamine
CID 115238972
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-morpholin-2-ylethanamine
CID 115239190
N-[(3-methylphenyl)methyl]-2-morpholin-3-ylethanamine
CID 115238968
3-fluoro-4-methoxy-N-methyl-N-(2-morpholin-3-ylethyl)aniline
CID 115238903
3-bromo-4-methoxy-N-(2-morpholin-3-ylethyl)aniline
CID 115238841
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-morpholin-3-ylethanamine
CID 115238964
3-[2-(4-methoxy-3-methylphenyl)ethyl]morpholine
CID 116928186
3-[2-(3-fluoro-4-methylphenyl)ethyl]morpholine
CID 104704060
(3S)-3-(3-fluoro-4-methoxyphenyl)morpholine;hydrochloride
CID 171193072
(3R)-3-(3-fluoro-4-methoxyphenyl)morpholine;hydrochloride
CID 171192539
3-[(5-fluoro-2-methoxyphenyl)methyl]morpholine
CID 82287541

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-2-morpholin-3-ylethanamine?
The IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-2-morpholin-3-ylethanamine (CID 115238945) is N-[(3-fluoro-4-methoxyphenyl)methyl]-2-morpholin-3-ylethanamine.
What is the SMILES notation for N-[(3-fluoro-4-methoxyphenyl)methyl]-2-morpholin-3-ylethanamine?
The canonical SMILES for N-[(3-fluoro-4-methoxyphenyl)methyl]-2-morpholin-3-ylethanamine is COc1ccc(CNCCC2COCCN2)cc1F.
What is the InChIKey of N-[(3-fluoro-4-methoxyphenyl)methyl]-2-morpholin-3-ylethanamine?
The InChIKey is QUWNKHAASFFPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-18-14-3-2-11(8-13(14)15)9-16-5-4-12-10-19-7-6-17-12/h2-3,8,12,16-17H,4-7,9-10H2,1H3.
What are the key properties of N-[(3-fluoro-4-methoxyphenyl)methyl]-2-morpholin-3-ylethanamine?
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-morpholin-3-ylethanamine has a molecular weight of 268.33 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methoxyphenyl)methyl]-2-morpholin-3-ylethanamine is sourced from PubChem (CID 115238945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).