N-[(5-amino-2-ethoxyphenyl)methyl]-N-methyloxan-4-amine

C15H24N2O2 — CID 43610736

IUPACN-[(5-amino-2-ethoxyphenyl)methyl]-N-methyloxan-4-amine
SMILESCCOc1ccc(N)cc1CN(C)C1CCOCC1
InChIInChI=1S/C15H24N2O2/c1-3-19-15-5-4-13(16)10-12(15)11-17(2)14-6-8-18-9-7-14/h4-5,10,14H,3,6-9,11,16H2,1-2H3
InChIKeyLQLRQFBEGVGHRW-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.28
Rot. Bonds5

About N-[(5-amino-2-ethoxyphenyl)methyl]-N-methyloxan-4-amine

N-[(5-amino-2-ethoxyphenyl)methyl]-N-methyloxan-4-amine (PubChem CID 43610736) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[(5-amino-2-ethoxyphenyl)methyl]-N-methyloxan-4-amine.

Molecular Properties

Compound NameN-[(5-amino-2-ethoxyphenyl)methyl]-N-methyloxan-4-amine
PubChem CID43610736
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-[(5-amino-2-ethoxyphenyl)methyl]-N-methyloxan-4-amine
SMILESCCOc1ccc(N)cc1CN(C)C1CCOCC1
InChIInChI=1S/C15H24N2O2/c1-3-19-15-5-4-13(16)10-12(15)11-17(2)14-6-8-18-9-7-14/h4-5,10,14H,3,6-9,11,16H2,1-2H3
InChIKeyLQLRQFBEGVGHRW-UHFFFAOYSA-N
XLogP2.28
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-ethoxy-N-methyl-N-(oxan-4-yl)benzenesulfonamide
CID 43663017
N-[(4-amino-2-bromophenyl)methyl]-N-methyloxan-4-amine
CID 60790714
3-[[cyclopentyl(ethyl)amino]methyl]-4-ethoxyaniline
CID 43540722
3-[[cyclopropylmethyl(ethyl)amino]methyl]-4-ethoxyaniline
CID 63955929
3-[[cyclobutylmethyl(methyl)amino]methyl]-4-ethoxyaniline
CID 62861106
4-ethoxy-3-[[methyl(oxan-2-ylmethyl)amino]methyl]aniline
CID 61431598
4-amino-2-[[methyl(oxolan-3-yl)amino]methyl]phenol
CID 82732035
4-ethoxy-3-(oxetan-3-ylsulfanylmethyl)aniline
CID 79327167
4-chloro-3-[[cyclopropyl(methyl)amino]methyl]aniline
CID 43264518
2-[(5-amino-2-ethoxyphenyl)methyl-methylamino]acetamide
CID 43373771
4-ethoxy-3-[[methyl-[(2-methylphenyl)methyl]amino]methyl]aniline
CID 43574952
3-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-4-ethoxyaniline
CID 55007073

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-2-ethoxyphenyl)methyl]-N-methyloxan-4-amine?
The IUPAC name of N-[(5-amino-2-ethoxyphenyl)methyl]-N-methyloxan-4-amine (CID 43610736) is N-[(5-amino-2-ethoxyphenyl)methyl]-N-methyloxan-4-amine.
What is the SMILES notation for N-[(5-amino-2-ethoxyphenyl)methyl]-N-methyloxan-4-amine?
The canonical SMILES for N-[(5-amino-2-ethoxyphenyl)methyl]-N-methyloxan-4-amine is CCOc1ccc(N)cc1CN(C)C1CCOCC1.
What is the InChIKey of N-[(5-amino-2-ethoxyphenyl)methyl]-N-methyloxan-4-amine?
The InChIKey is LQLRQFBEGVGHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-3-19-15-5-4-13(16)10-12(15)11-17(2)14-6-8-18-9-7-14/h4-5,10,14H,3,6-9,11,16H2,1-2H3.
What are the key properties of N-[(5-amino-2-ethoxyphenyl)methyl]-N-methyloxan-4-amine?
N-[(5-amino-2-ethoxyphenyl)methyl]-N-methyloxan-4-amine has a molecular weight of 264.37 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-2-ethoxyphenyl)methyl]-N-methyloxan-4-amine is sourced from PubChem (CID 43610736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).