4-[[1-(4-fluorophenyl)propan-2-ylamino]methyl]-N,N-dimethylaniline

C18H23FN2 — CID 60956705

IUPAC4-[[1-(4-fluorophenyl)propan-2-ylamino]methyl]-N,N-dimethylaniline
SMILESCC(Cc1ccc(F)cc1)NCc1ccc(N(C)C)cc1
InChIInChI=1S/C18H23FN2/c1-14(12-15-4-8-17(19)9-5-15)20-13-16-6-10-18(11-7-16)21(2)3/h4-11,14,20H,12-13H2,1-3H3
InChIKeyJXAHPBKXYSBFOE-UHFFFAOYSA-N
MW286.39 g/mol
LogP3.61
Rot. Bonds6

About 4-[[1-(4-fluorophenyl)propan-2-ylamino]methyl]-N,N-dimethylaniline

4-[[1-(4-fluorophenyl)propan-2-ylamino]methyl]-N,N-dimethylaniline (PubChem CID 60956705) has the molecular formula C18H23FN2 and a molecular weight of 286.39 g/mol. Its IUPAC name is 4-[[1-(4-fluorophenyl)propan-2-ylamino]methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[[1-(4-fluorophenyl)propan-2-ylamino]methyl]-N,N-dimethylaniline
PubChem CID60956705
Molecular FormulaC18H23FN2
Molecular Weight286.39 g/mol
Exact Mass286.18
IUPAC Name4-[[1-(4-fluorophenyl)propan-2-ylamino]methyl]-N,N-dimethylaniline
SMILESCC(Cc1ccc(F)cc1)NCc1ccc(N(C)C)cc1
InChIInChI=1S/C18H23FN2/c1-14(12-15-4-8-17(19)9-5-15)20-13-16-6-10-18(11-7-16)21(2)3/h4-11,14,20H,12-13H2,1-3H3
InChIKeyJXAHPBKXYSBFOE-UHFFFAOYSA-N
XLogP3.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.39
LogP ≤ 53.61
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

4-[2-[[4-(dimethylamino)phenyl]methylamino]propyl]phenol
CID 78942237
N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 60956706
(2S)-2-[[4-(dimethylamino)phenyl]methylamino]propan-1-ol
CID 93083040
2-[[4-(dimethylamino)phenyl]methylamino]propan-1-ol
CID 43499772
1-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-2-amine
CID 55026029
1-N-[1-(4-fluorophenyl)propan-2-yl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 115717047
1-(4-fluorophenyl)-N-(1H-pyrazol-4-ylmethyl)propan-2-amine
CID 115600103
N-[(4-bromo-3-fluorophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 81436061
N-[(3-bromophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 60956826
4-[[[(1R)-1-(3-fluorophenyl)ethyl]amino]methyl]-N,N-dimethylaniline
CID 28682596
1-(4-fluorophenyl)-N-[(5-methyl-3-pyridinyl)methyl]propan-2-amine
CID 103905623
4-chloro-N-[(4-fluorophenyl)methyl]butan-2-amine
CID 83187315

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(4-fluorophenyl)propan-2-ylamino]methyl]-N,N-dimethylaniline?
The IUPAC name of 4-[[1-(4-fluorophenyl)propan-2-ylamino]methyl]-N,N-dimethylaniline (CID 60956705) is 4-[[1-(4-fluorophenyl)propan-2-ylamino]methyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[[1-(4-fluorophenyl)propan-2-ylamino]methyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[[1-(4-fluorophenyl)propan-2-ylamino]methyl]-N,N-dimethylaniline is CC(Cc1ccc(F)cc1)NCc1ccc(N(C)C)cc1.
What is the InChIKey of 4-[[1-(4-fluorophenyl)propan-2-ylamino]methyl]-N,N-dimethylaniline?
The InChIKey is JXAHPBKXYSBFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2/c1-14(12-15-4-8-17(19)9-5-15)20-13-16-6-10-18(11-7-16)21(2)3/h4-11,14,20H,12-13H2,1-3H3.
What are the key properties of 4-[[1-(4-fluorophenyl)propan-2-ylamino]methyl]-N,N-dimethylaniline?
4-[[1-(4-fluorophenyl)propan-2-ylamino]methyl]-N,N-dimethylaniline has a molecular weight of 286.39 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(4-fluorophenyl)propan-2-ylamino]methyl]-N,N-dimethylaniline is sourced from PubChem (CID 60956705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).