N-[4-[(2-methoxyethylamino)methyl]phenyl]-N-methyloxan-4-amine

C16H26N2O2 — CID 63058629

IUPACN-[4-[(2-methoxyethylamino)methyl]phenyl]-N-methyloxan-4-amine
SMILESCOCCNCc1ccc(N(C)C2CCOCC2)cc1
InChIInChI=1S/C16H26N2O2/c1-18(16-7-10-20-11-8-16)15-5-3-14(4-6-15)13-17-9-12-19-2/h3-6,16-17H,7-13H2,1-2H3
InChIKeyCUYASITYNGUGIB-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.04
Rot. Bonds7

About N-[4-[(2-methoxyethylamino)methyl]phenyl]-N-methyloxan-4-amine

N-[4-[(2-methoxyethylamino)methyl]phenyl]-N-methyloxan-4-amine (PubChem CID 63058629) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[4-[(2-methoxyethylamino)methyl]phenyl]-N-methyloxan-4-amine.

Molecular Properties

Compound NameN-[4-[(2-methoxyethylamino)methyl]phenyl]-N-methyloxan-4-amine
PubChem CID63058629
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-[4-[(2-methoxyethylamino)methyl]phenyl]-N-methyloxan-4-amine
SMILESCOCCNCc1ccc(N(C)C2CCOCC2)cc1
InChIInChI=1S/C16H26N2O2/c1-18(16-7-10-20-11-8-16)15-5-3-14(4-6-15)13-17-9-12-19-2/h3-6,16-17H,7-13H2,1-2H3
InChIKeyCUYASITYNGUGIB-UHFFFAOYSA-N
XLogP2.04
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(cyclopentylmethyl)-4-[(2-methoxyethylamino)methyl]-N-methylaniline
CID 63630737
N-cyclopentyl-2-fluoro-4-[(2-methoxyethylamino)methyl]-N-methylaniline
CID 63061084
N-ethyl-4-[(2-methoxyethylamino)methyl]-N-(oxolan-2-ylmethyl)aniline
CID 63060813
N-[[4-(difluoromethyl)phenyl]methyl]-2-methoxyethanamine
CID 115523365
5-[(2-methoxyethylamino)methyl]-N-methyl-N-(4-methylcyclohexyl)pyridin-2-amine
CID 80632155
4-[(2-methoxyethylamino)methyl]-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline
CID 63274153
N'-[4-[(2-methoxyethylamino)methyl]phenyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63698869
N-(4-ethylcyclohexyl)-N-methyl-4-(propylaminomethyl)aniline
CID 63553409
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-methoxyethanamine
CID 17056671
N-[[4-(ethylaminomethyl)phenyl]methyl]-N-methyloxan-4-amine
CID 62431673
4-[(3-methoxypropylamino)methyl]-N,N-dimethylaniline;dihydrochloride
CID 17207022
4-[(2-methoxyethylamino)methyl]aniline
CID 22569430

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-methoxyethylamino)methyl]phenyl]-N-methyloxan-4-amine?
The IUPAC name of N-[4-[(2-methoxyethylamino)methyl]phenyl]-N-methyloxan-4-amine (CID 63058629) is N-[4-[(2-methoxyethylamino)methyl]phenyl]-N-methyloxan-4-amine.
What is the SMILES notation for N-[4-[(2-methoxyethylamino)methyl]phenyl]-N-methyloxan-4-amine?
The canonical SMILES for N-[4-[(2-methoxyethylamino)methyl]phenyl]-N-methyloxan-4-amine is COCCNCc1ccc(N(C)C2CCOCC2)cc1.
What is the InChIKey of N-[4-[(2-methoxyethylamino)methyl]phenyl]-N-methyloxan-4-amine?
The InChIKey is CUYASITYNGUGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-18(16-7-10-20-11-8-16)15-5-3-14(4-6-15)13-17-9-12-19-2/h3-6,16-17H,7-13H2,1-2H3.
What are the key properties of N-[4-[(2-methoxyethylamino)methyl]phenyl]-N-methyloxan-4-amine?
N-[4-[(2-methoxyethylamino)methyl]phenyl]-N-methyloxan-4-amine has a molecular weight of 278.40 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-methoxyethylamino)methyl]phenyl]-N-methyloxan-4-amine is sourced from PubChem (CID 63058629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).