N-[[4-[2-(diethylamino)ethoxymethyl]phenyl]methyl]-2-methylpropan-2-amine

C18H32N2O — CID 62458634

IUPACN-[[4-[2-(diethylamino)ethoxymethyl]phenyl]methyl]-2-methylpropan-2-amine
SMILESCCN(CC)CCOCc1ccc(CNC(C)(C)C)cc1
InChIInChI=1S/C18H32N2O/c1-6-20(7-2)12-13-21-15-17-10-8-16(9-11-17)14-19-18(3,4)5/h8-11,19H,6-7,12-15H2,1-5H3
InChIKeyMLOAGIPBGVQUNP-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.43
Rot. Bonds9

About N-[[4-[2-(diethylamino)ethoxymethyl]phenyl]methyl]-2-methylpropan-2-amine

N-[[4-[2-(diethylamino)ethoxymethyl]phenyl]methyl]-2-methylpropan-2-amine (PubChem CID 62458634) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is N-[[4-[2-(diethylamino)ethoxymethyl]phenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-[2-(diethylamino)ethoxymethyl]phenyl]methyl]-2-methylpropan-2-amine
PubChem CID62458634
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC NameN-[[4-[2-(diethylamino)ethoxymethyl]phenyl]methyl]-2-methylpropan-2-amine
SMILESCCN(CC)CCOCc1ccc(CNC(C)(C)C)cc1
InChIInChI=1S/C18H32N2O/c1-6-20(7-2)12-13-21-15-17-10-8-16(9-11-17)14-19-18(3,4)5/h8-11,19H,6-7,12-15H2,1-5H3
InChIKeyMLOAGIPBGVQUNP-UHFFFAOYSA-N
XLogP3.43
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.43
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-[[6-[2-(diethylamino)ethoxymethyl]-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 106908088
N-[[4-(2-butoxyethoxymethyl)phenyl]methyl]-2-methylpropan-2-amine
CID 62457543
2-methyl-N-[[4-(phenylmethoxymethyl)phenyl]methyl]propan-2-amine
CID 62446348
1-[[4-[(tert-butylamino)methyl]phenyl]methoxy]-N,N,2-trimethylpropan-2-amine
CID 79670044
N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 22251747
N-[2-[4-[2-(dimethylamino)ethoxymethyl]phenyl]ethyl]-2-methylpropan-2-amine
CID 105350642
N'-benzyl-N,N-diethyl-N'-(2-phenylmethoxyethyl)ethane-1,2-diamine
CID 134112447
4-[(tert-butylamino)methyl]-N,N-diethylaniline
CID 4719207
N-[[5-chloro-6-[2-(diethylamino)ethoxy]-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62296676
N,N-diethyl-2-[[3-(ethylaminomethyl)phenyl]methoxy]ethanamine
CID 62460949
4-[(tert-butylamino)methyl]-N-ethyl-N-propylaniline
CID 55147217
N-[[4-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 63939704

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(diethylamino)ethoxymethyl]phenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-[2-(diethylamino)ethoxymethyl]phenyl]methyl]-2-methylpropan-2-amine (CID 62458634) is N-[[4-[2-(diethylamino)ethoxymethyl]phenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-[2-(diethylamino)ethoxymethyl]phenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-[2-(diethylamino)ethoxymethyl]phenyl]methyl]-2-methylpropan-2-amine is CCN(CC)CCOCc1ccc(CNC(C)(C)C)cc1.
What is the InChIKey of N-[[4-[2-(diethylamino)ethoxymethyl]phenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is MLOAGIPBGVQUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-6-20(7-2)12-13-21-15-17-10-8-16(9-11-17)14-19-18(3,4)5/h8-11,19H,6-7,12-15H2,1-5H3.
What are the key properties of N-[[4-[2-(diethylamino)ethoxymethyl]phenyl]methyl]-2-methylpropan-2-amine?
N-[[4-[2-(diethylamino)ethoxymethyl]phenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 292.47 g/mol, XLogP of 3.43, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(diethylamino)ethoxymethyl]phenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62458634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).