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

C14H21FN2O — CID 115238118

IUPAC2-(4-fluoro-3-methylphenyl)-N-(morpholin-3-ylmethyl)ethanamine
SMILESCc1cc(CCNCC2COCCN2)ccc1F
InChIInChI=1S/C14H21FN2O/c1-11-8-12(2-3-14(11)15)4-5-16-9-13-10-18-7-6-17-13/h2-3,8,13,16-17H,4-7,9-10H2,1H3
InChIKeyKHOUCGIPXPNQHZ-UHFFFAOYSA-N
MW252.33 g/mol
LogP1.25
Rot. Bonds5

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

2-(4-fluoro-3-methylphenyl)-N-(morpholin-3-ylmethyl)ethanamine (PubChem CID 115238118) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 2-(4-fluoro-3-methylphenyl)-N-(morpholin-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(4-fluoro-3-methylphenyl)-N-(morpholin-3-ylmethyl)ethanamine
PubChem CID115238118
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name2-(4-fluoro-3-methylphenyl)-N-(morpholin-3-ylmethyl)ethanamine
SMILESCc1cc(CCNCC2COCCN2)ccc1F
InChIInChI=1S/C14H21FN2O/c1-11-8-12(2-3-14(11)15)4-5-16-9-13-10-18-7-6-17-13/h2-3,8,13,16-17H,4-7,9-10H2,1H3
InChIKeyKHOUCGIPXPNQHZ-UHFFFAOYSA-N
XLogP1.25
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(morpholin-3-ylmethyl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 115238131
3-[2-(3-fluoro-4-methylphenyl)ethyl]morpholine
CID 104704060
2-(2,4-dimethylphenyl)-N-(morpholin-3-ylmethyl)ethanamine
CID 115238123
2-(3-methoxyphenyl)-N-(morpholin-3-ylmethyl)ethanamine
CID 115238155
4-fluoro-3-methyl-N-(morpholin-3-ylmethyl)benzamide
CID 103548729
N-[2-(4-fluoro-3-methylphenyl)ethyl]-2-pyrrolidin-2-ylethanamine
CID 115210410
N-[2-(4-fluoro-3-methylphenyl)ethyl]-2-piperidin-2-ylethanamine
CID 115211164
4-[[2-(4-fluoro-3-methylphenyl)ethylamino]methyl]cyclohexan-1-ol
CID 115239906
1-morpholin-3-yl-N-[(4-propylphenyl)methyl]methanamine
CID 115238003
N-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-morpholin-3-ylmethanamine
CID 115238057
2-(4-fluorophenyl)-2-methyl-N-(morpholin-3-ylmethyl)propan-1-amine
CID 115238209
2-(4-fluoro-3-methylphenyl)-N-[(1-methylpiperazin-2-yl)methyl]ethanamine
CID 115238453

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-methylphenyl)-N-(morpholin-3-ylmethyl)ethanamine?
The IUPAC name of 2-(4-fluoro-3-methylphenyl)-N-(morpholin-3-ylmethyl)ethanamine (CID 115238118) is 2-(4-fluoro-3-methylphenyl)-N-(morpholin-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-(4-fluoro-3-methylphenyl)-N-(morpholin-3-ylmethyl)ethanamine?
The canonical SMILES for 2-(4-fluoro-3-methylphenyl)-N-(morpholin-3-ylmethyl)ethanamine is Cc1cc(CCNCC2COCCN2)ccc1F.
What is the InChIKey of 2-(4-fluoro-3-methylphenyl)-N-(morpholin-3-ylmethyl)ethanamine?
The InChIKey is KHOUCGIPXPNQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-11-8-12(2-3-14(11)15)4-5-16-9-13-10-18-7-6-17-13/h2-3,8,13,16-17H,4-7,9-10H2,1H3.
What are the key properties of 2-(4-fluoro-3-methylphenyl)-N-(morpholin-3-ylmethyl)ethanamine?
2-(4-fluoro-3-methylphenyl)-N-(morpholin-3-ylmethyl)ethanamine has a molecular weight of 252.33 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-3-methylphenyl)-N-(morpholin-3-ylmethyl)ethanamine is sourced from PubChem (CID 115238118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).