N-[[2-[2-(diethylamino)ethoxymethyl]phenyl]methyl]propan-2-amine

C17H30N2O — CID 62459872

IUPACN-[[2-[2-(diethylamino)ethoxymethyl]phenyl]methyl]propan-2-amine
SMILESCCN(CC)CCOCc1ccccc1CNC(C)C
InChIInChI=1S/C17H30N2O/c1-5-19(6-2)11-12-20-14-17-10-8-7-9-16(17)13-18-15(3)4/h7-10,15,18H,5-6,11-14H2,1-4H3
InChIKeyUKNTWICXJIJJBZ-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.04
Rot. Bonds10

About N-[[2-[2-(diethylamino)ethoxymethyl]phenyl]methyl]propan-2-amine

N-[[2-[2-(diethylamino)ethoxymethyl]phenyl]methyl]propan-2-amine (PubChem CID 62459872) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N-[[2-[2-(diethylamino)ethoxymethyl]phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-[2-(diethylamino)ethoxymethyl]phenyl]methyl]propan-2-amine
PubChem CID62459872
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN-[[2-[2-(diethylamino)ethoxymethyl]phenyl]methyl]propan-2-amine
SMILESCCN(CC)CCOCc1ccccc1CNC(C)C
InChIInChI=1S/C17H30N2O/c1-5-19(6-2)11-12-20-14-17-10-8-7-9-16(17)13-18-15(3)4/h7-10,15,18H,5-6,11-14H2,1-4H3
InChIKeyUKNTWICXJIJJBZ-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
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-(2-ethoxyethoxymethyl)phenyl]methyl]propan-2-amine
CID 62444314
N-[[2-(heptoxymethyl)phenyl]methyl]propan-2-amine
CID 63490911
N-[[2-(2-methylpropoxymethyl)phenyl]methyl]propan-2-amine
CID 62445508
N-[2-[[2-(ethylaminomethyl)phenyl]methoxy]ethyl]-N-propan-2-ylpropan-2-amine
CID 115505882
N-[[2-(but-2-enoxymethyl)phenyl]methyl]propan-2-amine
CID 76943723
N-[[2-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]methyl]propan-2-amine
CID 63940458
N-[[6-[2-(diethylamino)ethoxy]-2-pyridinyl]methyl]propan-2-amine
CID 55058800
N-methyl-N-[[2-[(propan-2-ylamino)methyl]phenyl]methyl]propan-1-amine
CID 62417579
N-[[2-[(4-ethylphenoxy)methyl]phenyl]methyl]propan-2-amine
CID 63496796
N-[2-[2-(2-propoxyethoxymethyl)phenyl]ethyl]propan-2-amine
CID 115465016
N-ethyl-N-methyl-2-[(propan-2-ylamino)methyl]aniline
CID 43281572
N',N'-diethyl-N-[[2-(methoxymethyl)phenyl]methyl]ethane-1,2-diamine
CID 54861568

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(diethylamino)ethoxymethyl]phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-[2-(diethylamino)ethoxymethyl]phenyl]methyl]propan-2-amine (CID 62459872) is N-[[2-[2-(diethylamino)ethoxymethyl]phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-[2-(diethylamino)ethoxymethyl]phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-[2-(diethylamino)ethoxymethyl]phenyl]methyl]propan-2-amine is CCN(CC)CCOCc1ccccc1CNC(C)C.
What is the InChIKey of N-[[2-[2-(diethylamino)ethoxymethyl]phenyl]methyl]propan-2-amine?
The InChIKey is UKNTWICXJIJJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-5-19(6-2)11-12-20-14-17-10-8-7-9-16(17)13-18-15(3)4/h7-10,15,18H,5-6,11-14H2,1-4H3.
What are the key properties of N-[[2-[2-(diethylamino)ethoxymethyl]phenyl]methyl]propan-2-amine?
N-[[2-[2-(diethylamino)ethoxymethyl]phenyl]methyl]propan-2-amine has a molecular weight of 278.44 g/mol, XLogP of 3.04, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(diethylamino)ethoxymethyl]phenyl]methyl]propan-2-amine is sourced from PubChem (CID 62459872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).