N-butyl-N-ethyl-4-[(2-methoxyethylamino)methyl]-3-methylaniline

C17H30N2O — CID 63058733

IUPACN-butyl-N-ethyl-4-[(2-methoxyethylamino)methyl]-3-methylaniline
SMILESCCCCN(CC)c1ccc(CNCCOC)c(C)c1
InChIInChI=1S/C17H30N2O/c1-5-7-11-19(6-2)17-9-8-16(15(3)13-17)14-18-10-12-20-4/h8-9,13,18H,5-7,10-12,14H2,1-4H3
InChIKeyISCPCPDNQBQCOG-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.36
Rot. Bonds10

About N-butyl-N-ethyl-4-[(2-methoxyethylamino)methyl]-3-methylaniline

N-butyl-N-ethyl-4-[(2-methoxyethylamino)methyl]-3-methylaniline (PubChem CID 63058733) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N-butyl-N-ethyl-4-[(2-methoxyethylamino)methyl]-3-methylaniline.

Molecular Properties

Compound NameN-butyl-N-ethyl-4-[(2-methoxyethylamino)methyl]-3-methylaniline
PubChem CID63058733
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN-butyl-N-ethyl-4-[(2-methoxyethylamino)methyl]-3-methylaniline
SMILESCCCCN(CC)c1ccc(CNCCOC)c(C)c1
InChIInChI=1S/C17H30N2O/c1-5-7-11-19(6-2)17-9-8-16(15(3)13-17)14-18-10-12-20-4/h8-9,13,18H,5-7,10-12,14H2,1-4H3
InChIKeyISCPCPDNQBQCOG-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
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'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-4-[(2-methoxyethylamino)methyl]-N,3-dimethylaniline
CID 63060156
4-(butylaminomethyl)-N-ethyl-3-methyl-N-propylaniline
CID 145098744
4-(butylaminomethyl)-N-ethyl-3-methyl-N-propylaniline;(4-ethyl-2-methylphenyl)methanamine
CID 145098743
N-butyl-4-[(cyclopropylamino)methyl]-N-ethyl-3-methylaniline
CID 55039009
N-[(4-butylsulfanyl-2-methylphenyl)methyl]-2-methoxyethanamine
CID 63808367
2-[N-butyl-5-chloro-2-[(2-methoxyethylamino)methyl]anilino]ethanol
CID 114849250
4-[(2-methoxyethylamino)methyl]-N,3-dimethyl-N-(2-methylsulfonylethyl)aniline
CID 79843642
N-butyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-3-methylpyridin-2-amine
CID 80628897
2-[N-butyl-4-(ethylaminomethyl)-3-methylanilino]acetamide
CID 62128442
N,N-bis(2-methoxyethyl)-3-methyl-4-(methylaminomethyl)aniline
CID 55039064
N'-ethyl-N'-[2-[(2-methoxyethylamino)methyl]phenyl]-N,N-dimethylpropane-1,3-diamine
CID 102995261
2-[3-methyl-N-propyl-4-(propylaminomethyl)anilino]ethanol
CID 62135723

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-4-[(2-methoxyethylamino)methyl]-3-methylaniline?
The IUPAC name of N-butyl-N-ethyl-4-[(2-methoxyethylamino)methyl]-3-methylaniline (CID 63058733) is N-butyl-N-ethyl-4-[(2-methoxyethylamino)methyl]-3-methylaniline.
What is the SMILES notation for N-butyl-N-ethyl-4-[(2-methoxyethylamino)methyl]-3-methylaniline?
The canonical SMILES for N-butyl-N-ethyl-4-[(2-methoxyethylamino)methyl]-3-methylaniline is CCCCN(CC)c1ccc(CNCCOC)c(C)c1.
What is the InChIKey of N-butyl-N-ethyl-4-[(2-methoxyethylamino)methyl]-3-methylaniline?
The InChIKey is ISCPCPDNQBQCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-5-7-11-19(6-2)17-9-8-16(15(3)13-17)14-18-10-12-20-4/h8-9,13,18H,5-7,10-12,14H2,1-4H3.
What are the key properties of N-butyl-N-ethyl-4-[(2-methoxyethylamino)methyl]-3-methylaniline?
N-butyl-N-ethyl-4-[(2-methoxyethylamino)methyl]-3-methylaniline has a molecular weight of 278.44 g/mol, XLogP of 3.36, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-4-[(2-methoxyethylamino)methyl]-3-methylaniline is sourced from PubChem (CID 63058733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).