N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-(2-methoxyethyl)propan-2-amine

C17H30N2O — CID 105348193

IUPACN-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-(2-methoxyethyl)propan-2-amine
SMILESCCNCCc1ccc(CN(CCOC)C(C)C)cc1
InChIInChI=1S/C17H30N2O/c1-5-18-11-10-16-6-8-17(9-7-16)14-19(15(2)3)12-13-20-4/h6-9,15,18H,5,10-14H2,1-4H3
InChIKeyBARNRCBEMRDQGV-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.70
Rot. Bonds10

About N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-(2-methoxyethyl)propan-2-amine

N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-(2-methoxyethyl)propan-2-amine (PubChem CID 105348193) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-(2-methoxyethyl)propan-2-amine.

Molecular Properties

Compound NameN-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-(2-methoxyethyl)propan-2-amine
PubChem CID105348193
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-(2-methoxyethyl)propan-2-amine
SMILESCCNCCc1ccc(CN(CCOC)C(C)C)cc1
InChIInChI=1S/C17H30N2O/c1-5-18-11-10-16-6-8-17(9-7-16)14-19(15(2)3)12-13-20-4/h6-9,15,18H,5,10-14H2,1-4H3
InChIKeyBARNRCBEMRDQGV-UHFFFAOYSA-N
XLogP2.70
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.70
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-(2-methoxyethyl)-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]pentan-3-amine
CID 105347567
N-(2-methoxyethyl)-N-[(4-trimethylsilylphenyl)methyl]propan-2-amine
CID 103438491
N-[2-[4-[[2-methoxyethyl(methyl)amino]methyl]phenyl]ethyl]propan-1-amine
CID 105347558
N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 105347185
N-[2-[4-(ethylaminomethyl)phenoxy]ethyl]-N-(2-methoxyethyl)propan-2-amine
CID 82942694
2-[2-methoxyethyl(propan-2-yl)amino]-1-(4-propylphenyl)ethanol
CID 82960025
3-methoxy-N-methyl-N-[[4-[2-(propylamino)ethyl]phenyl]methyl]propan-1-amine
CID 105347627
N-[(4-iodophenyl)methyl]-1-methoxy-N-(2-methoxyethyl)propan-2-amine
CID 65477533
N-[[4-(aminomethyl)phenyl]methyl]-N-(2-methoxyethyl)butan-2-amine
CID 55001040
N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylbutan-1-amine
CID 105346574
N-[2-[4-[[2-methoxyethyl(methyl)amino]methyl]phenyl]ethyl]-2-methylpropan-2-amine
CID 105347551
N-(2-methoxyethyl)-N-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]butan-2-amine
CID 62463675

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-(2-methoxyethyl)propan-2-amine?
The IUPAC name of N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-(2-methoxyethyl)propan-2-amine (CID 105348193) is N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-(2-methoxyethyl)propan-2-amine.
What is the SMILES notation for N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-(2-methoxyethyl)propan-2-amine?
The canonical SMILES for N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-(2-methoxyethyl)propan-2-amine is CCNCCc1ccc(CN(CCOC)C(C)C)cc1.
What is the InChIKey of N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-(2-methoxyethyl)propan-2-amine?
The InChIKey is BARNRCBEMRDQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-5-18-11-10-16-6-8-17(9-7-16)14-19(15(2)3)12-13-20-4/h6-9,15,18H,5,10-14H2,1-4H3.
What are the key properties of N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-(2-methoxyethyl)propan-2-amine?
N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-(2-methoxyethyl)propan-2-amine has a molecular weight of 278.44 g/mol, XLogP of 2.70, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-(2-methoxyethyl)propan-2-amine is sourced from PubChem (CID 105348193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).