N,N-dimethyl-4-[1-[4-(methylaminomethyl)phenyl]ethyl]aniline

C18H24N2 — CID 153497957

IUPACN,N-dimethyl-4-[1-[4-(methylaminomethyl)phenyl]ethyl]aniline
SMILESCNCc1ccc(C(C)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C18H24N2/c1-14(16-7-5-15(6-8-16)13-19-2)17-9-11-18(12-10-17)20(3)4/h5-12,14,19H,13H2,1-4H3
InChIKeyWJHMRHGRWALNGI-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.62
Rot. Bonds5

About N,N-dimethyl-4-[1-[4-(methylaminomethyl)phenyl]ethyl]aniline

N,N-dimethyl-4-[1-[4-(methylaminomethyl)phenyl]ethyl]aniline (PubChem CID 153497957) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N,N-dimethyl-4-[1-[4-(methylaminomethyl)phenyl]ethyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[1-[4-(methylaminomethyl)phenyl]ethyl]aniline
PubChem CID153497957
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC NameN,N-dimethyl-4-[1-[4-(methylaminomethyl)phenyl]ethyl]aniline
SMILESCNCc1ccc(C(C)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C18H24N2/c1-14(16-7-5-15(6-8-16)13-19-2)17-9-11-18(12-10-17)20(3)4/h5-12,14,19H,13H2,1-4H3
InChIKeyWJHMRHGRWALNGI-UHFFFAOYSA-N
XLogP3.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-[4-[4-(dimethylamino)phenyl]-1,4-bis[4-(methylaminomethyl)phenyl]cyclohexyl]-N,N-dimethylaniline
CID 153497949
N-methyl-4-(methylaminomethyl)-N-(2-methylpropyl)aniline
CID 43281929
4-[1-(4-chlorophenyl)ethyl]-N,N-dimethylaniline
CID 58923332
N-methyl-4-(methylaminomethyl)-N-propylaniline
CID 43281892
4-[amino-[4-(methylaminomethyl)phenyl]-phenylmethyl]-N,N-dimethylaniline
CID 59157450
N,N-dimethyl-4-[[[(1S)-1-phenylethyl]amino]methyl]aniline
CID 961203
4-[[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline
CID 7567
1-[4-(difluoromethyl)phenyl]-N-methylmethanamine
CID 84654057
(2S)-2-[[4-(dimethylamino)phenyl]methylamino]propan-1-ol
CID 93083040
2-[[4-(dimethylamino)phenyl]methylamino]propan-1-ol
CID 43499772
N,N-dimethyl-4-[(2-methylpropoxyamino)methyl]aniline
CID 82710734
2-N-[[4-(dimethylamino)phenyl]methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 61476450

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[1-[4-(methylaminomethyl)phenyl]ethyl]aniline?
The IUPAC name of N,N-dimethyl-4-[1-[4-(methylaminomethyl)phenyl]ethyl]aniline (CID 153497957) is N,N-dimethyl-4-[1-[4-(methylaminomethyl)phenyl]ethyl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[1-[4-(methylaminomethyl)phenyl]ethyl]aniline?
The canonical SMILES for N,N-dimethyl-4-[1-[4-(methylaminomethyl)phenyl]ethyl]aniline is CNCc1ccc(C(C)c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of N,N-dimethyl-4-[1-[4-(methylaminomethyl)phenyl]ethyl]aniline?
The InChIKey is WJHMRHGRWALNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-14(16-7-5-15(6-8-16)13-19-2)17-9-11-18(12-10-17)20(3)4/h5-12,14,19H,13H2,1-4H3.
What are the key properties of N,N-dimethyl-4-[1-[4-(methylaminomethyl)phenyl]ethyl]aniline?
N,N-dimethyl-4-[1-[4-(methylaminomethyl)phenyl]ethyl]aniline has a molecular weight of 268.40 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[1-[4-(methylaminomethyl)phenyl]ethyl]aniline is sourced from PubChem (CID 153497957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).