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

C14H22N2O2 — CID 115238972

IUPACN-[(2-methoxyphenyl)methyl]-2-morpholin-3-ylethanamine
SMILESCOc1ccccc1CNCCC1COCCN1
InChIInChI=1S/C14H22N2O2/c1-17-14-5-3-2-4-12(14)10-15-7-6-13-11-18-9-8-16-13/h2-5,13,15-16H,6-11H2,1H3
InChIKeyJZQKWLZLOHKKLG-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.16
Rot. Bonds6

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

N-[(2-methoxyphenyl)methyl]-2-morpholin-3-ylethanamine (PubChem CID 115238972) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-morpholin-3-ylethanamine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-morpholin-3-ylethanamine
PubChem CID115238972
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-morpholin-3-ylethanamine
SMILESCOc1ccccc1CNCCC1COCCN1
InChIInChI=1S/C14H22N2O2/c1-17-14-5-3-2-4-12(14)10-15-7-6-13-11-18-9-8-16-13/h2-5,13,15-16H,6-11H2,1H3
InChIKeyJZQKWLZLOHKKLG-UHFFFAOYSA-N
XLogP1.16
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 ≤ 51.16
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-methylnaphthalen-1-yl)methyl]-2-morpholin-3-ylethanamine
CID 130392636
N-[(4-methoxyphenyl)methyl]-2-morpholin-3-ylethanamine
CID 115238941
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-morpholin-3-ylethanamine
CID 115238945
2-methoxy-N-[[(3S)-morpholin-3-yl]methyl]aniline
CID 99962582
N-[(3-methylphenyl)methyl]-2-morpholin-3-ylethanamine
CID 115238968
N-[(5-bromo-2-methoxyphenyl)methyl]-1-morpholin-3-ylmethanamine
CID 115238006
3-[(5-fluoro-2-methoxyphenyl)methyl]morpholine
CID 82287541
3-bromo-4-methoxy-N-(2-morpholin-3-ylethyl)aniline
CID 115238841
1-(2-methoxyphenyl)-2-morpholin-3-ylethanol
CID 81466986
N-[2-(2-methoxyphenyl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120914428
3-[(2-methoxy-5-methylphenyl)methyl]morpholine
CID 82286569
3-[(5-chloro-2-methoxyphenyl)methyl]morpholine
CID 82293165

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2-morpholin-3-ylethanamine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-morpholin-3-ylethanamine (CID 115238972) is N-[(2-methoxyphenyl)methyl]-2-morpholin-3-ylethanamine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-morpholin-3-ylethanamine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-morpholin-3-ylethanamine is COc1ccccc1CNCCC1COCCN1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-morpholin-3-ylethanamine?
The InChIKey is JZQKWLZLOHKKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-17-14-5-3-2-4-12(14)10-15-7-6-13-11-18-9-8-16-13/h2-5,13,15-16H,6-11H2,1H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-morpholin-3-ylethanamine?
N-[(2-methoxyphenyl)methyl]-2-morpholin-3-ylethanamine has a molecular weight of 250.34 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2-morpholin-3-ylethanamine is sourced from PubChem (CID 115238972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).