N-(2-methoxyethyl)-N-(2-methylpropyl)-4-[(2-methylpropylamino)methyl]aniline

C18H32N2O — CID 63071872

IUPACN-(2-methoxyethyl)-N-(2-methylpropyl)-4-[(2-methylpropylamino)methyl]aniline
SMILESCOCCN(CC(C)C)c1ccc(CNCC(C)C)cc1
InChIInChI=1S/C18H32N2O/c1-15(2)12-19-13-17-6-8-18(9-7-17)20(10-11-21-5)14-16(3)4/h6-9,15-16,19H,10-14H2,1-5H3
InChIKeyBNZPFCGIAJUORK-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.54
Rot. Bonds10

About N-(2-methoxyethyl)-N-(2-methylpropyl)-4-[(2-methylpropylamino)methyl]aniline

N-(2-methoxyethyl)-N-(2-methylpropyl)-4-[(2-methylpropylamino)methyl]aniline (PubChem CID 63071872) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-(2-methylpropyl)-4-[(2-methylpropylamino)methyl]aniline.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-(2-methylpropyl)-4-[(2-methylpropylamino)methyl]aniline
PubChem CID63071872
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC NameN-(2-methoxyethyl)-N-(2-methylpropyl)-4-[(2-methylpropylamino)methyl]aniline
SMILESCOCCN(CC(C)C)c1ccc(CNCC(C)C)cc1
InChIInChI=1S/C18H32N2O/c1-15(2)12-19-13-17-6-8-18(9-7-17)20(10-11-21-5)14-16(3)4/h6-9,15-16,19H,10-14H2,1-5H3
InChIKeyBNZPFCGIAJUORK-UHFFFAOYSA-N
XLogP3.54
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 ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[[4-[[2-methoxyethyl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine
CID 62448969
4-(1-aminoethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)aniline
CID 54987087
N-[[4-[[3-methoxypropyl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine
CID 63008493
(1S)-1-[4-[bis(2-methoxyethyl)amino]phenyl]-N'-[(4-methoxyphenyl)methyl]ethane-1,2-diamine
CID 58229067
N-[[4-(methoxymethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 60751693
4-N-(2-methoxyethyl)-2-methyl-4-N-(2-methylpropyl)benzene-1,4-diamine
CID 54987138
N-ethyl-N-(2-methoxyethyl)-4-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62294097
N-(2-methoxyethyl)-5-[(2-methylpropylamino)methyl]-N-propan-2-ylpyridin-2-amine
CID 82960066
N-ethyl-N-(2-methylpropyl)-4-(propylaminomethyl)aniline
CID 43281999
4-(ethylaminomethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)pyridin-2-amine
CID 55059734
N-butyl-N-methyl-4-[(2-methylpropylamino)methyl]aniline
CID 63060702
N-benzyl-N'-(2-methoxyethyl)-N'-(2-methylpropyl)ethane-1,2-diamine
CID 55089880

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-(2-methylpropyl)-4-[(2-methylpropylamino)methyl]aniline?
The IUPAC name of N-(2-methoxyethyl)-N-(2-methylpropyl)-4-[(2-methylpropylamino)methyl]aniline (CID 63071872) is N-(2-methoxyethyl)-N-(2-methylpropyl)-4-[(2-methylpropylamino)methyl]aniline.
What is the SMILES notation for N-(2-methoxyethyl)-N-(2-methylpropyl)-4-[(2-methylpropylamino)methyl]aniline?
The canonical SMILES for N-(2-methoxyethyl)-N-(2-methylpropyl)-4-[(2-methylpropylamino)methyl]aniline is COCCN(CC(C)C)c1ccc(CNCC(C)C)cc1.
What is the InChIKey of N-(2-methoxyethyl)-N-(2-methylpropyl)-4-[(2-methylpropylamino)methyl]aniline?
The InChIKey is BNZPFCGIAJUORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-15(2)12-19-13-17-6-8-18(9-7-17)20(10-11-21-5)14-16(3)4/h6-9,15-16,19H,10-14H2,1-5H3.
What are the key properties of N-(2-methoxyethyl)-N-(2-methylpropyl)-4-[(2-methylpropylamino)methyl]aniline?
N-(2-methoxyethyl)-N-(2-methylpropyl)-4-[(2-methylpropylamino)methyl]aniline has a molecular weight of 292.47 g/mol, XLogP of 3.54, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-(2-methylpropyl)-4-[(2-methylpropylamino)methyl]aniline is sourced from PubChem (CID 63071872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).