N-ethyl-4-(ethylaminomethyl)-2-methyl-N-(2-methylpropyl)aniline

C16H28N2 — CID 62121360

IUPACN-ethyl-4-(ethylaminomethyl)-2-methyl-N-(2-methylpropyl)aniline
SMILESCCNCc1ccc(N(CC)CC(C)C)c(C)c1
InChIInChI=1S/C16H28N2/c1-6-17-11-15-8-9-16(14(5)10-15)18(7-2)12-13(3)4/h8-10,13,17H,6-7,11-12H2,1-5H3
InChIKeyCRDBHAWLTMBAPD-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.59
Rot. Bonds7

About N-ethyl-4-(ethylaminomethyl)-2-methyl-N-(2-methylpropyl)aniline

N-ethyl-4-(ethylaminomethyl)-2-methyl-N-(2-methylpropyl)aniline (PubChem CID 62121360) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N-ethyl-4-(ethylaminomethyl)-2-methyl-N-(2-methylpropyl)aniline.

Molecular Properties

Compound NameN-ethyl-4-(ethylaminomethyl)-2-methyl-N-(2-methylpropyl)aniline
PubChem CID62121360
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN-ethyl-4-(ethylaminomethyl)-2-methyl-N-(2-methylpropyl)aniline
SMILESCCNCc1ccc(N(CC)CC(C)C)c(C)c1
InChIInChI=1S/C16H28N2/c1-6-17-11-15-8-9-16(14(5)10-15)18(7-2)12-13(3)4/h8-10,13,17H,6-7,11-12H2,1-5H3
InChIKeyCRDBHAWLTMBAPD-UHFFFAOYSA-N
XLogP3.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-4-(ethylaminomethyl)-2-fluoro-N-(2-methylpropyl)aniline
CID 43281990
2-N-ethyl-2-N-[4-(ethylaminomethyl)-2-methylphenyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 103190030
1-[N-ethyl-2-methyl-4-[(2-methylpropylamino)methyl]anilino]-2-methylpropan-2-ol
CID 79379221
N-butan-2-yl-4-(ethylaminomethyl)-N,2-dimethylaniline
CID 62121015
4-[ethyl(2-methylpropyl)amino]-3-methylbenzaldehyde
CID 62122123
N,N-diethyl-4-(ethylaminomethyl)-2-propan-2-yloxyaniline
CID 84750453
4-(chloromethyl)-2-methyl-N,N-bis(2-methylpropyl)aniline
CID 63539624
N-ethyl-4-(ethylaminomethyl)-2-methyl-N-(4-methylphenyl)aniline
CID 63551214
2-[4-(ethylaminomethyl)-2-methyl-N-propan-2-ylanilino]acetamide
CID 55040171
2-[4-(ethylaminomethyl)-2-methyl-N-(2,2,2-trifluoroethyl)anilino]ethanol
CID 107481554
N-(2,2-dimethylpropyl)-4-(ethylaminomethyl)-N,2-dimethylaniline
CID 62122953
N,N-diethyl-2-[4-(ethylaminomethyl)-N,2-dimethylanilino]acetamide
CID 62124186

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(ethylaminomethyl)-2-methyl-N-(2-methylpropyl)aniline?
The IUPAC name of N-ethyl-4-(ethylaminomethyl)-2-methyl-N-(2-methylpropyl)aniline (CID 62121360) is N-ethyl-4-(ethylaminomethyl)-2-methyl-N-(2-methylpropyl)aniline.
What is the SMILES notation for N-ethyl-4-(ethylaminomethyl)-2-methyl-N-(2-methylpropyl)aniline?
The canonical SMILES for N-ethyl-4-(ethylaminomethyl)-2-methyl-N-(2-methylpropyl)aniline is CCNCc1ccc(N(CC)CC(C)C)c(C)c1.
What is the InChIKey of N-ethyl-4-(ethylaminomethyl)-2-methyl-N-(2-methylpropyl)aniline?
The InChIKey is CRDBHAWLTMBAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-6-17-11-15-8-9-16(14(5)10-15)18(7-2)12-13(3)4/h8-10,13,17H,6-7,11-12H2,1-5H3.
What are the key properties of N-ethyl-4-(ethylaminomethyl)-2-methyl-N-(2-methylpropyl)aniline?
N-ethyl-4-(ethylaminomethyl)-2-methyl-N-(2-methylpropyl)aniline has a molecular weight of 248.41 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(ethylaminomethyl)-2-methyl-N-(2-methylpropyl)aniline is sourced from PubChem (CID 62121360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).