N,N-diethyl-4-[1-(methylamino)propyl]aniline

C14H24N2 — CID 70917104

IUPACN,N-diethyl-4-[1-(methylamino)propyl]aniline
SMILESCCC(NC)c1ccc(N(CC)CC)cc1
InChIInChI=1S/C14H24N2/c1-5-14(15-4)12-8-10-13(11-9-12)16(6-2)7-3/h8-11,14-15H,5-7H2,1-4H3
InChIKeyZMEOOXIVNKPDMK-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.20
Rot. Bonds6

About N,N-diethyl-4-[1-(methylamino)propyl]aniline

N,N-diethyl-4-[1-(methylamino)propyl]aniline (PubChem CID 70917104) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N,N-diethyl-4-[1-(methylamino)propyl]aniline.

Molecular Properties

Compound NameN,N-diethyl-4-[1-(methylamino)propyl]aniline
PubChem CID70917104
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN,N-diethyl-4-[1-(methylamino)propyl]aniline
SMILESCCC(NC)c1ccc(N(CC)CC)cc1
InChIInChI=1S/C14H24N2/c1-5-14(15-4)12-8-10-13(11-9-12)16(6-2)7-3/h8-11,14-15H,5-7H2,1-4H3
InChIKeyZMEOOXIVNKPDMK-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
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': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-(4-butan-2-ylphenyl)-N-methylpropan-1-amine
CID 43483040
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
4-(difluoromethyl)-N,N-diethylaniline
CID 154791327
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine;hydrochloride
CID 70262837
4-[[4-(diethylamino)phenyl]-hydrazinylmethyl]-N,N-diethylaniline
CID 53403073
N-methyl-4-[1-(methylamino)propyl]-N-(3-methylsulfanylpropyl)aniline
CID 114237191
3-(chloroamino)-3-[4-(diethylamino)phenyl]propanoic acid
CID 58960141
4-[1-[4-(diethylamino)phenyl]-2,2-dimethylpropyl]-N,N-diethylaniline
CID 91741933
N,N-dimethyl-4-[3-methyl-1-(methylamino)pentyl]aniline
CID 105138453
4-[(4-chloroanilino)-[4-(diethylamino)phenyl]methyl]-N,N-diethylaniline
CID 20537704
1-[4-(difluoromethoxy)phenyl]-N-methylpropan-1-amine
CID 43280106
N,N-diethyl-4-(1-phenylethyl)aniline
CID 68828092

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[1-(methylamino)propyl]aniline?
The IUPAC name of N,N-diethyl-4-[1-(methylamino)propyl]aniline (CID 70917104) is N,N-diethyl-4-[1-(methylamino)propyl]aniline.
What is the SMILES notation for N,N-diethyl-4-[1-(methylamino)propyl]aniline?
The canonical SMILES for N,N-diethyl-4-[1-(methylamino)propyl]aniline is CCC(NC)c1ccc(N(CC)CC)cc1.
What is the InChIKey of N,N-diethyl-4-[1-(methylamino)propyl]aniline?
The InChIKey is ZMEOOXIVNKPDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-5-14(15-4)12-8-10-13(11-9-12)16(6-2)7-3/h8-11,14-15H,5-7H2,1-4H3.
What are the key properties of N,N-diethyl-4-[1-(methylamino)propyl]aniline?
N,N-diethyl-4-[1-(methylamino)propyl]aniline has a molecular weight of 220.36 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[1-(methylamino)propyl]aniline is sourced from PubChem (CID 70917104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).