N-[2-[4-(ethylaminomethyl)phenoxy]ethyl]-3-methoxy-N-methylpropan-1-amine

C16H28N2O2 — CID 63007403

IUPACN-[2-[4-(ethylaminomethyl)phenoxy]ethyl]-3-methoxy-N-methylpropan-1-amine
SMILESCCNCc1ccc(OCCN(C)CCCOC)cc1
InChIInChI=1S/C16H28N2O2/c1-4-17-14-15-6-8-16(9-7-15)20-13-11-18(2)10-5-12-19-3/h6-9,17H,4-5,10-14H2,1-3H3
InChIKeySNQBPOIZVCIDEY-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.14
Rot. Bonds11

About N-[2-[4-(ethylaminomethyl)phenoxy]ethyl]-3-methoxy-N-methylpropan-1-amine

N-[2-[4-(ethylaminomethyl)phenoxy]ethyl]-3-methoxy-N-methylpropan-1-amine (PubChem CID 63007403) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is N-[2-[4-(ethylaminomethyl)phenoxy]ethyl]-3-methoxy-N-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-[4-(ethylaminomethyl)phenoxy]ethyl]-3-methoxy-N-methylpropan-1-amine
PubChem CID63007403
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC NameN-[2-[4-(ethylaminomethyl)phenoxy]ethyl]-3-methoxy-N-methylpropan-1-amine
SMILESCCNCc1ccc(OCCN(C)CCCOC)cc1
InChIInChI=1S/C16H28N2O2/c1-4-17-14-15-6-8-16(9-7-15)20-13-11-18(2)10-5-12-19-3/h6-9,17H,4-5,10-14H2,1-3H3
InChIKeySNQBPOIZVCIDEY-UHFFFAOYSA-N
XLogP2.14
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.14
H-Bond Donors ≤ 51
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-butoxyphenyl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62843608
N-[[4-[2-[3-methoxypropyl(methyl)amino]ethoxy]phenyl]methyl]cyclopropanamine
CID 63009386
N-[2-[4-(ethylaminomethyl)phenoxy]ethyl]-N-(2-methoxyethyl)propan-2-amine
CID 82942694
N-[2-[4-(ethylaminomethyl)phenoxy]ethyl]-N,2-dimethylbutan-1-amine
CID 62420374
N-[2-(4-bromophenoxy)ethyl]-3-methoxy-N-methylpropan-1-amine
CID 60970554
3-methoxy-N-methyl-N-(2-phenoxyethyl)propan-1-amine
CID 87013054
2-methoxy-N-[[4-(3-methoxypropoxy)phenyl]methyl]ethanamine
CID 55146437
4-[3-[3-methoxypropyl(methyl)amino]propoxy]aniline
CID 55141452
4-[3-[2-methoxyethyl(methyl)amino]propoxy]aniline
CID 61427012
N-[(4-ethylphenyl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62844461
N-[[4-(4,4,4-trifluorobutoxy)phenyl]methyl]ethanamine
CID 115513082
2-[4-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]acetonitrile
CID 61427477

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(ethylaminomethyl)phenoxy]ethyl]-3-methoxy-N-methylpropan-1-amine?
The IUPAC name of N-[2-[4-(ethylaminomethyl)phenoxy]ethyl]-3-methoxy-N-methylpropan-1-amine (CID 63007403) is N-[2-[4-(ethylaminomethyl)phenoxy]ethyl]-3-methoxy-N-methylpropan-1-amine.
What is the SMILES notation for N-[2-[4-(ethylaminomethyl)phenoxy]ethyl]-3-methoxy-N-methylpropan-1-amine?
The canonical SMILES for N-[2-[4-(ethylaminomethyl)phenoxy]ethyl]-3-methoxy-N-methylpropan-1-amine is CCNCc1ccc(OCCN(C)CCCOC)cc1.
What is the InChIKey of N-[2-[4-(ethylaminomethyl)phenoxy]ethyl]-3-methoxy-N-methylpropan-1-amine?
The InChIKey is SNQBPOIZVCIDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-4-17-14-15-6-8-16(9-7-15)20-13-11-18(2)10-5-12-19-3/h6-9,17H,4-5,10-14H2,1-3H3.
What are the key properties of N-[2-[4-(ethylaminomethyl)phenoxy]ethyl]-3-methoxy-N-methylpropan-1-amine?
N-[2-[4-(ethylaminomethyl)phenoxy]ethyl]-3-methoxy-N-methylpropan-1-amine has a molecular weight of 280.41 g/mol, XLogP of 2.14, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(ethylaminomethyl)phenoxy]ethyl]-3-methoxy-N-methylpropan-1-amine is sourced from PubChem (CID 63007403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).