4-(ethylaminomethyl)-N-methyl-N-(oxan-2-ylmethyl)aniline

C16H26N2O — CID 61432121

IUPAC4-(ethylaminomethyl)-N-methyl-N-(oxan-2-ylmethyl)aniline
SMILESCCNCc1ccc(N(C)CC2CCCCO2)cc1
InChIInChI=1S/C16H26N2O/c1-3-17-12-14-7-9-15(10-8-14)18(2)13-16-6-4-5-11-19-16/h7-10,16-17H,3-6,11-13H2,1-2H3
InChIKeyCAQJZJSWCMDVTH-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.80
Rot. Bonds6

About 4-(ethylaminomethyl)-N-methyl-N-(oxan-2-ylmethyl)aniline

4-(ethylaminomethyl)-N-methyl-N-(oxan-2-ylmethyl)aniline (PubChem CID 61432121) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-N-methyl-N-(oxan-2-ylmethyl)aniline.

Molecular Properties

Compound Name4-(ethylaminomethyl)-N-methyl-N-(oxan-2-ylmethyl)aniline
PubChem CID61432121
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name4-(ethylaminomethyl)-N-methyl-N-(oxan-2-ylmethyl)aniline
SMILESCCNCc1ccc(N(C)CC2CCCCO2)cc1
InChIInChI=1S/C16H26N2O/c1-3-17-12-14-7-9-15(10-8-14)18(2)13-16-6-4-5-11-19-16/h7-10,16-17H,3-6,11-13H2,1-2H3
InChIKeyCAQJZJSWCMDVTH-UHFFFAOYSA-N
XLogP2.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.80
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'}

Analyze 4-(ethylaminomethyl)-N-methyl-N-(oxan-2-ylmethyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-N-(oxan-2-ylmethyl)-4-[(propan-2-ylamino)methyl]aniline
CID 61432168
4-(aminomethyl)-N-methyl-N-(oxan-2-ylmethyl)aniline
CID 43591832
4-(ethylaminomethyl)-2-fluoro-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 61432117
N-methyl-N-(oxan-2-ylmethyl)-4-[1-(propylamino)ethyl]aniline
CID 61432333
N,N-dimethyl-4-[[[(2S)-oxolan-2-yl]methylamino]methyl]aniline
CID 834270
N-[(4-ethylphenyl)methyl]-2-(oxan-2-yl)ethanamine
CID 113362830
N-[[4-[[methyl(oxan-2-ylmethyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 62430129
N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]ethanamine
CID 43214097
(1R)-1-[5-[methyl(oxan-2-ylmethyl)amino]-2-pyridinyl]propan-1-ol
CID 103938475
4-[methyl(oxolan-2-ylmethyl)amino]benzenecarboximidamide
CID 55152264
4-[(1R)-1-aminopropyl]-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 114066089
4-chloro-2-(ethylaminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 114848960

Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-N-methyl-N-(oxan-2-ylmethyl)aniline?
The IUPAC name of 4-(ethylaminomethyl)-N-methyl-N-(oxan-2-ylmethyl)aniline (CID 61432121) is 4-(ethylaminomethyl)-N-methyl-N-(oxan-2-ylmethyl)aniline.
What is the SMILES notation for 4-(ethylaminomethyl)-N-methyl-N-(oxan-2-ylmethyl)aniline?
The canonical SMILES for 4-(ethylaminomethyl)-N-methyl-N-(oxan-2-ylmethyl)aniline is CCNCc1ccc(N(C)CC2CCCCO2)cc1.
What is the InChIKey of 4-(ethylaminomethyl)-N-methyl-N-(oxan-2-ylmethyl)aniline?
The InChIKey is CAQJZJSWCMDVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-17-12-14-7-9-15(10-8-14)18(2)13-16-6-4-5-11-19-16/h7-10,16-17H,3-6,11-13H2,1-2H3.
What are the key properties of 4-(ethylaminomethyl)-N-methyl-N-(oxan-2-ylmethyl)aniline?
4-(ethylaminomethyl)-N-methyl-N-(oxan-2-ylmethyl)aniline has a molecular weight of 262.40 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)-N-methyl-N-(oxan-2-ylmethyl)aniline is sourced from PubChem (CID 61432121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).