4-[[4-(dimethylamino)phenyl]-methoxymethyl]-N,N-dimethyl-3-propylaniline

C21H30N2O — CID 18998131

IUPAC4-[[4-(dimethylamino)phenyl]-methoxymethyl]-N,N-dimethyl-3-propylaniline
SMILESCCCc1cc(N(C)C)ccc1C(OC)c1ccc(N(C)C)cc1
InChIInChI=1S/C21H30N2O/c1-7-8-17-15-19(23(4)5)13-14-20(17)21(24-6)16-9-11-18(12-10-16)22(2)3/h9-15,21H,7-8H2,1-6H3
InChIKeySMRQXGBOFVTDGK-UHFFFAOYSA-N
MW326.48 g/mol
LogP4.51
Rot. Bonds7

About 4-[[4-(dimethylamino)phenyl]-methoxymethyl]-N,N-dimethyl-3-propylaniline

4-[[4-(dimethylamino)phenyl]-methoxymethyl]-N,N-dimethyl-3-propylaniline (PubChem CID 18998131) has the molecular formula C21H30N2O and a molecular weight of 326.48 g/mol. Its IUPAC name is 4-[[4-(dimethylamino)phenyl]-methoxymethyl]-N,N-dimethyl-3-propylaniline.

Molecular Properties

Compound Name4-[[4-(dimethylamino)phenyl]-methoxymethyl]-N,N-dimethyl-3-propylaniline
PubChem CID18998131
Molecular FormulaC21H30N2O
Molecular Weight326.48 g/mol
Exact Mass326.24
IUPAC Name4-[[4-(dimethylamino)phenyl]-methoxymethyl]-N,N-dimethyl-3-propylaniline
SMILESCCCc1cc(N(C)C)ccc1C(OC)c1ccc(N(C)C)cc1
InChIInChI=1S/C21H30N2O/c1-7-8-17-15-19(23(4)5)13-14-20(17)21(24-6)16-9-11-18(12-10-16)22(2)3/h9-15,21H,7-8H2,1-6H3
InChIKeySMRQXGBOFVTDGK-UHFFFAOYSA-N
XLogP4.51
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}

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Related Compounds

C.I. 42555:1
CID 68050
4,4'-Bis(dimethylamino)benzhydrol
CID 92742
Malachite Green carbinol
CID 10521
transpDMA
CID 91885418
4-(Dimethylamino)benzhydrol
CID 344837
N,N,N',N'-tetramethyl-1H,3H-benzo[de]isochromene-6,7-diamine
CID 746044
[4-(Dimethylamino)naphthalen-1-yl]-[4-(dimethylamino)phenyl]methanol
CID 44580866
4-(2,2-Dimethyl-4-phenyl-2,5-dihydro-1,3-oxazol-5-yl)-N,N-dimethylaniline
CID 3061433
Benzenamine, N,N-dimethyl-4-(2,5-dihydro-2,2-dimethyl-4-(2-methylphenyl)-5-oxazolyl)-
CID 3061438
4-(2,2-Dimethyl-4-phenyl-2,5-dihydro-1,3-oxazol-5-yl)-N,N,3,5-tetramethylaniline
CID 3061440
4,4'-Bis(diethylamino)benzhydryl alcohol
CID 67257
2-((2-((Dimethylamino)methyl)phenyl)(methoxy)methyl)-5-methylbenzenamine
CID 44408580

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(dimethylamino)phenyl]-methoxymethyl]-N,N-dimethyl-3-propylaniline?
The IUPAC name of 4-[[4-(dimethylamino)phenyl]-methoxymethyl]-N,N-dimethyl-3-propylaniline (CID 18998131) is 4-[[4-(dimethylamino)phenyl]-methoxymethyl]-N,N-dimethyl-3-propylaniline.
What is the SMILES notation for 4-[[4-(dimethylamino)phenyl]-methoxymethyl]-N,N-dimethyl-3-propylaniline?
The canonical SMILES for 4-[[4-(dimethylamino)phenyl]-methoxymethyl]-N,N-dimethyl-3-propylaniline is CCCc1cc(N(C)C)ccc1C(OC)c1ccc(N(C)C)cc1.
What is the InChIKey of 4-[[4-(dimethylamino)phenyl]-methoxymethyl]-N,N-dimethyl-3-propylaniline?
The InChIKey is SMRQXGBOFVTDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O/c1-7-8-17-15-19(23(4)5)13-14-20(17)21(24-6)16-9-11-18(12-10-16)22(2)3/h9-15,21H,7-8H2,1-6H3.
What are the key properties of 4-[[4-(dimethylamino)phenyl]-methoxymethyl]-N,N-dimethyl-3-propylaniline?
4-[[4-(dimethylamino)phenyl]-methoxymethyl]-N,N-dimethyl-3-propylaniline has a molecular weight of 326.48 g/mol, XLogP of 4.51, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(dimethylamino)phenyl]-methoxymethyl]-N,N-dimethyl-3-propylaniline is sourced from PubChem (CID 18998131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).