N-[[3-[2-[ethyl(methyl)amino]ethoxy]phenyl]methyl]propan-1-amine

C15H26N2O — CID 62419119

IUPACN-[[3-[2-[ethyl(methyl)amino]ethoxy]phenyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(OCCN(C)CC)c1
InChIInChI=1S/C15H26N2O/c1-4-9-16-13-14-7-6-8-15(12-14)18-11-10-17(3)5-2/h6-8,12,16H,4-5,9-11,13H2,1-3H3
InChIKeyJQUPOKSAZAAUKM-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.52
Rot. Bonds9

About N-[[3-[2-[ethyl(methyl)amino]ethoxy]phenyl]methyl]propan-1-amine

N-[[3-[2-[ethyl(methyl)amino]ethoxy]phenyl]methyl]propan-1-amine (PubChem CID 62419119) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-[[3-[2-[ethyl(methyl)amino]ethoxy]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-[2-[ethyl(methyl)amino]ethoxy]phenyl]methyl]propan-1-amine
PubChem CID62419119
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-[[3-[2-[ethyl(methyl)amino]ethoxy]phenyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(OCCN(C)CC)c1
InChIInChI=1S/C15H26N2O/c1-4-9-16-13-14-7-6-8-15(12-14)18-11-10-17(3)5-2/h6-8,12,16H,4-5,9-11,13H2,1-3H3
InChIKeyJQUPOKSAZAAUKM-UHFFFAOYSA-N
XLogP2.52
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-[2-[methyl(propyl)amino]ethoxy]phenyl]methyl]propan-1-amine
CID 55074388
N,2-dimethyl-N-[2-[3-(propylaminomethyl)phenoxy]ethyl]butan-1-amine
CID 62420181
N-[[3-[2-[2-(dimethylamino)ethoxy]ethoxy]phenyl]methyl]propan-1-amine
CID 62458587
N-methyl-1-methylsulfanyl-N-[2-[3-(propylaminomethyl)phenoxy]ethyl]propan-2-amine
CID 115987888
N-[[3-(2-methoxyethoxy)phenyl]methyl]propan-1-amine
CID 39246100
N-methyl-N-[2-[3-(methylaminomethyl)phenoxy]ethyl]propan-1-amine
CID 62416994
methyl 3-[3-(propylaminomethyl)phenoxy]propanoate
CID 63949501
2-[3-(aminomethyl)phenoxy]-N-ethyl-N-methylethanamine
CID 43263089
5-[3-(propylaminomethyl)phenoxy]pentan-1-ol
CID 62227082
N-[[3-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-1-amine
CID 62455235
N-[(3-pent-4-ynoxyphenyl)methyl]propan-1-amine
CID 113374110
N',N'-diethyl-N-[[3-(2-phenoxyethoxy)phenyl]methyl]ethane-1,2-diamine
CID 54803492

Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-[ethyl(methyl)amino]ethoxy]phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[3-[2-[ethyl(methyl)amino]ethoxy]phenyl]methyl]propan-1-amine (CID 62419119) is N-[[3-[2-[ethyl(methyl)amino]ethoxy]phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-[2-[ethyl(methyl)amino]ethoxy]phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-[2-[ethyl(methyl)amino]ethoxy]phenyl]methyl]propan-1-amine is CCCNCc1cccc(OCCN(C)CC)c1.
What is the InChIKey of N-[[3-[2-[ethyl(methyl)amino]ethoxy]phenyl]methyl]propan-1-amine?
The InChIKey is JQUPOKSAZAAUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-4-9-16-13-14-7-6-8-15(12-14)18-11-10-17(3)5-2/h6-8,12,16H,4-5,9-11,13H2,1-3H3.
What are the key properties of N-[[3-[2-[ethyl(methyl)amino]ethoxy]phenyl]methyl]propan-1-amine?
N-[[3-[2-[ethyl(methyl)amino]ethoxy]phenyl]methyl]propan-1-amine has a molecular weight of 250.39 g/mol, XLogP of 2.52, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-[ethyl(methyl)amino]ethoxy]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 62419119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).