N-[2-[4-[2-(dimethylamino)ethoxymethyl]phenyl]propyl]-2-methylpropan-1-amine

C18H32N2O — CID 105350650

IUPACN-[2-[4-[2-(dimethylamino)ethoxymethyl]phenyl]propyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC(C)c1ccc(COCCN(C)C)cc1
InChIInChI=1S/C18H32N2O/c1-15(2)12-19-13-16(3)18-8-6-17(7-9-18)14-21-11-10-20(4)5/h6-9,15-16,19H,10-14H2,1-5H3
InChIKeyFNXRXWQSMYOCAM-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.11
Rot. Bonds10

About N-[2-[4-[2-(dimethylamino)ethoxymethyl]phenyl]propyl]-2-methylpropan-1-amine

N-[2-[4-[2-(dimethylamino)ethoxymethyl]phenyl]propyl]-2-methylpropan-1-amine (PubChem CID 105350650) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is N-[2-[4-[2-(dimethylamino)ethoxymethyl]phenyl]propyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-[4-[2-(dimethylamino)ethoxymethyl]phenyl]propyl]-2-methylpropan-1-amine
PubChem CID105350650
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC NameN-[2-[4-[2-(dimethylamino)ethoxymethyl]phenyl]propyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC(C)c1ccc(COCCN(C)C)cc1
InChIInChI=1S/C18H32N2O/c1-15(2)12-19-13-16(3)18-8-6-17(7-9-18)14-21-11-10-20(4)5/h6-9,15-16,19H,10-14H2,1-5H3
InChIKeyFNXRXWQSMYOCAM-UHFFFAOYSA-N
XLogP3.11
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.11
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-[4-[2-(dimethylamino)ethoxymethyl]phenyl]ethyl]-2-methylpropan-1-amine
CID 105350635
2-methyl-N-[2-[4-(2,2,2-trifluoroethoxymethyl)phenyl]propyl]propan-1-amine
CID 105349086
N-[2-[4-(butan-2-yloxymethyl)phenyl]propyl]-2-methylpropan-1-amine
CID 105350634
N-[[4-[2-(dimethylamino)ethoxymethyl]phenyl]methyl]propan-2-amine
CID 62459122
2-[4-(2-methoxyethoxymethyl)phenyl]-N-propylpropan-1-amine
CID 105349563
2-[4-(4-methylpentoxymethyl)phenyl]-N-propylpropan-1-amine
CID 105349722
2-[4-(pentoxymethyl)phenyl]-N-propylpropan-1-amine
CID 105350017
N-[2-[4-[2-(dimethylamino)ethoxymethyl]phenyl]ethyl]propan-1-amine
CID 105350646
N-[[5-[2-(dimethylamino)ethoxymethyl]-2-methylfuran-3-yl]methyl]-2-methylpropan-1-amine
CID 62459116
N-propan-2-yl-2-[4-(2-propan-2-yloxyethoxymethyl)phenyl]propan-1-amine
CID 105349537
2-methyl-N-(2-phenylpropyl)propan-1-amine;hydrochloride
CID 17157782
N-[[4-[2-(dimethylamino)ethoxymethyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 62459461

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-(dimethylamino)ethoxymethyl]phenyl]propyl]-2-methylpropan-1-amine?
The IUPAC name of N-[2-[4-[2-(dimethylamino)ethoxymethyl]phenyl]propyl]-2-methylpropan-1-amine (CID 105350650) is N-[2-[4-[2-(dimethylamino)ethoxymethyl]phenyl]propyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[2-[4-[2-(dimethylamino)ethoxymethyl]phenyl]propyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[2-[4-[2-(dimethylamino)ethoxymethyl]phenyl]propyl]-2-methylpropan-1-amine is CC(C)CNCC(C)c1ccc(COCCN(C)C)cc1.
What is the InChIKey of N-[2-[4-[2-(dimethylamino)ethoxymethyl]phenyl]propyl]-2-methylpropan-1-amine?
The InChIKey is FNXRXWQSMYOCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-15(2)12-19-13-16(3)18-8-6-17(7-9-18)14-21-11-10-20(4)5/h6-9,15-16,19H,10-14H2,1-5H3.
What are the key properties of N-[2-[4-[2-(dimethylamino)ethoxymethyl]phenyl]propyl]-2-methylpropan-1-amine?
N-[2-[4-[2-(dimethylamino)ethoxymethyl]phenyl]propyl]-2-methylpropan-1-amine has a molecular weight of 292.47 g/mol, XLogP of 3.11, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2-(dimethylamino)ethoxymethyl]phenyl]propyl]-2-methylpropan-1-amine is sourced from PubChem (CID 105350650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).