N-ethyl-N,2-dimethyl-4-(propylaminomethyl)aniline

C14H24N2 — CID 62119969

IUPACN-ethyl-N,2-dimethyl-4-(propylaminomethyl)aniline
SMILESCCCNCc1ccc(N(C)CC)c(C)c1
InChIInChI=1S/C14H24N2/c1-5-9-15-11-13-7-8-14(12(3)10-13)16(4)6-2/h7-8,10,15H,5-6,9,11H2,1-4H3
InChIKeyQAWGLBITSIREQG-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.95
Rot. Bonds6

About N-ethyl-N,2-dimethyl-4-(propylaminomethyl)aniline

N-ethyl-N,2-dimethyl-4-(propylaminomethyl)aniline (PubChem CID 62119969) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N-ethyl-N,2-dimethyl-4-(propylaminomethyl)aniline.

Molecular Properties

Compound NameN-ethyl-N,2-dimethyl-4-(propylaminomethyl)aniline
PubChem CID62119969
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN-ethyl-N,2-dimethyl-4-(propylaminomethyl)aniline
SMILESCCCNCc1ccc(N(C)CC)c(C)c1
InChIInChI=1S/C14H24N2/c1-5-9-15-11-13-7-8-14(12(3)10-13)16(4)6-2/h7-8,10,15H,5-6,9,11H2,1-4H3
InChIKeyQAWGLBITSIREQG-UHFFFAOYSA-N
XLogP2.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,2-dimethyl-N-(oxan-4-ylmethyl)-4-(propylaminomethyl)aniline
CID 63711399
2-[N-ethyl-2-methyl-4-(propylaminomethyl)anilino]-N,N-dimethylacetamide
CID 62120859
N,2-dimethyl-N-(3-methylbutan-2-yl)-4-(propylaminomethyl)aniline
CID 55040116
N-(furan-2-ylmethyl)-N,2-dimethyl-4-(propylaminomethyl)aniline
CID 62121867
N-(3,3-dimethylbutan-2-yl)-N,2-dimethyl-4-(propylaminomethyl)aniline
CID 63550642
2-[N,2-dimethyl-4-(propylaminomethyl)anilino]cyclohexan-1-ol
CID 102632987
4-(chloromethyl)-N-ethyl-N,2-dimethylaniline
CID 62123149
N-(2-methoxyethyl)-4-[(2-methoxyethylamino)methyl]-N,2-dimethylaniline
CID 63060791
2-[2-methyl-N-propan-2-yl-4-(propylaminomethyl)anilino]ethanol
CID 62123309
N-(2,2-dimethylpropyl)-4-(ethylaminomethyl)-N,2-dimethylaniline
CID 62122953
N,N-diethyl-2-[4-(ethylaminomethyl)-N,2-dimethylanilino]acetamide
CID 62124186
3-[N-cyclobutyl-2-methyl-4-(propylaminomethyl)anilino]propan-1-ol
CID 102864620

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N,2-dimethyl-4-(propylaminomethyl)aniline?
The IUPAC name of N-ethyl-N,2-dimethyl-4-(propylaminomethyl)aniline (CID 62119969) is N-ethyl-N,2-dimethyl-4-(propylaminomethyl)aniline.
What is the SMILES notation for N-ethyl-N,2-dimethyl-4-(propylaminomethyl)aniline?
The canonical SMILES for N-ethyl-N,2-dimethyl-4-(propylaminomethyl)aniline is CCCNCc1ccc(N(C)CC)c(C)c1.
What is the InChIKey of N-ethyl-N,2-dimethyl-4-(propylaminomethyl)aniline?
The InChIKey is QAWGLBITSIREQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-5-9-15-11-13-7-8-14(12(3)10-13)16(4)6-2/h7-8,10,15H,5-6,9,11H2,1-4H3.
What are the key properties of N-ethyl-N,2-dimethyl-4-(propylaminomethyl)aniline?
N-ethyl-N,2-dimethyl-4-(propylaminomethyl)aniline has a molecular weight of 220.36 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N,2-dimethyl-4-(propylaminomethyl)aniline is sourced from PubChem (CID 62119969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).