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

C14H22N2O2 — CID 115238155

IUPAC2-(3-methoxyphenyl)-N-(morpholin-3-ylmethyl)ethanamine
SMILESCOc1cccc(CCNCC2COCCN2)c1
InChIInChI=1S/C14H22N2O2/c1-17-14-4-2-3-12(9-14)5-6-15-10-13-11-18-8-7-16-13/h2-4,9,13,15-16H,5-8,10-11H2,1H3
InChIKeyGQUUXRYTMVYPBZ-UHFFFAOYSA-N
MW250.34 g/mol
LogP0.82
Rot. Bonds6

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

2-(3-methoxyphenyl)-N-(morpholin-3-ylmethyl)ethanamine (PubChem CID 115238155) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-(morpholin-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-(morpholin-3-ylmethyl)ethanamine
PubChem CID115238155
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-(3-methoxyphenyl)-N-(morpholin-3-ylmethyl)ethanamine
SMILESCOc1cccc(CCNCC2COCCN2)c1
InChIInChI=1S/C14H22N2O2/c1-17-14-4-2-3-12(9-14)5-6-15-10-13-11-18-8-7-16-13/h2-4,9,13,15-16H,5-8,10-11H2,1H3
InChIKeyGQUUXRYTMVYPBZ-UHFFFAOYSA-N
XLogP0.82
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 50.82
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

2-(3-methoxyphenyl)-N-methyl-N-(morpholin-3-ylmethyl)ethanamine
CID 115238192
N-(morpholin-3-ylmethyl)-2-pyridin-3-ylethanamine
CID 115238152
2-(4-fluoro-3-methylphenyl)-N-(morpholin-3-ylmethyl)ethanamine
CID 115238118
N-(azetidin-3-ylmethyl)-2-(3-methoxyphenyl)ethanamine
CID 115207850
N-(morpholin-3-ylmethyl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 115238131
2-(2,4-dimethylphenyl)-N-(morpholin-3-ylmethyl)ethanamine
CID 115238123
(3S)-3-[[2-[(3-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]methyl]morpholine
CID 97201377
3-[2-[3-(difluoromethoxy)phenyl]ethyl]morpholine
CID 104704090
N-[(4-methoxyphenyl)methyl]-2-morpholin-3-ylethanamine
CID 115238941
N-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-morpholin-3-ylmethanamine
CID 115238057
2-cyclopropyl-N-[2-(3-methoxyphenyl)ethyl]ethanamine
CID 107852145
N-[(3-methoxyphenyl)methyl]-2-(3-methylphenyl)ethanamine
CID 62315348

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-(morpholin-3-ylmethyl)ethanamine?
The IUPAC name of 2-(3-methoxyphenyl)-N-(morpholin-3-ylmethyl)ethanamine (CID 115238155) is 2-(3-methoxyphenyl)-N-(morpholin-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-(morpholin-3-ylmethyl)ethanamine?
The canonical SMILES for 2-(3-methoxyphenyl)-N-(morpholin-3-ylmethyl)ethanamine is COc1cccc(CCNCC2COCCN2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-(morpholin-3-ylmethyl)ethanamine?
The InChIKey is GQUUXRYTMVYPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-17-14-4-2-3-12(9-14)5-6-15-10-13-11-18-8-7-16-13/h2-4,9,13,15-16H,5-8,10-11H2,1H3.
What are the key properties of 2-(3-methoxyphenyl)-N-(morpholin-3-ylmethyl)ethanamine?
2-(3-methoxyphenyl)-N-(morpholin-3-ylmethyl)ethanamine has a molecular weight of 250.34 g/mol, XLogP of 0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N-(morpholin-3-ylmethyl)ethanamine is sourced from PubChem (CID 115238155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).