1-[[1-(4-fluorophenyl)propylamino]methyl]-N,N-dimethylcyclobutan-1-amine

C16H25FN2 — CID 105415705

IUPAC1-[[1-(4-fluorophenyl)propylamino]methyl]-N,N-dimethylcyclobutan-1-amine
SMILESCCC(NCC1(N(C)C)CCC1)c1ccc(F)cc1
InChIInChI=1S/C16H25FN2/c1-4-15(13-6-8-14(17)9-7-13)18-12-16(19(2)3)10-5-11-16/h6-9,15,18H,4-5,10-12H2,1-3H3
InChIKeyQVFQPUCZKPOEMV-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.35
Rot. Bonds6

About 1-[[1-(4-fluorophenyl)propylamino]methyl]-N,N-dimethylcyclobutan-1-amine

1-[[1-(4-fluorophenyl)propylamino]methyl]-N,N-dimethylcyclobutan-1-amine (PubChem CID 105415705) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is 1-[[1-(4-fluorophenyl)propylamino]methyl]-N,N-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name1-[[1-(4-fluorophenyl)propylamino]methyl]-N,N-dimethylcyclobutan-1-amine
PubChem CID105415705
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name1-[[1-(4-fluorophenyl)propylamino]methyl]-N,N-dimethylcyclobutan-1-amine
SMILESCCC(NCC1(N(C)C)CCC1)c1ccc(F)cc1
InChIInChI=1S/C16H25FN2/c1-4-15(13-6-8-14(17)9-7-13)18-12-16(19(2)3)10-5-11-16/h6-9,15,18H,4-5,10-12H2,1-3H3
InChIKeyQVFQPUCZKPOEMV-UHFFFAOYSA-N
XLogP3.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-[[1-(dimethylamino)cyclopentyl]methylamino]propyl]phenol
CID 83116508
1-[[1-(5-fluoro-2-pyridinyl)propylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 115938807
1-[[1-(4-chlorophenyl)butylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105415794
1-[[1-(2,4-dichlorophenyl)propylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105415724
1-(4-fluorophenyl)-N-propylpropan-1-amine
CID 43185194
1-[[1-(4-fluorophenyl)ethylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 61210973
1-[[1-(2-bromo-4-fluorophenyl)ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 102613571
N-(cyclopropylmethyl)-1-(4-fluorophenyl)propan-1-amine
CID 43190691
1-[[1-(4-ethylphenyl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 83107346
1-[[1-(2,4-dichlorophenyl)propylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 83107544
1-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]propan-1-amine
CID 43096584
2-[1-(4-fluorophenyl)propylamino]ethanol
CID 43151168

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-fluorophenyl)propylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
The IUPAC name of 1-[[1-(4-fluorophenyl)propylamino]methyl]-N,N-dimethylcyclobutan-1-amine (CID 105415705) is 1-[[1-(4-fluorophenyl)propylamino]methyl]-N,N-dimethylcyclobutan-1-amine.
What is the SMILES notation for 1-[[1-(4-fluorophenyl)propylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
The canonical SMILES for 1-[[1-(4-fluorophenyl)propylamino]methyl]-N,N-dimethylcyclobutan-1-amine is CCC(NCC1(N(C)C)CCC1)c1ccc(F)cc1.
What is the InChIKey of 1-[[1-(4-fluorophenyl)propylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
The InChIKey is QVFQPUCZKPOEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-4-15(13-6-8-14(17)9-7-13)18-12-16(19(2)3)10-5-11-16/h6-9,15,18H,4-5,10-12H2,1-3H3.
What are the key properties of 1-[[1-(4-fluorophenyl)propylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
1-[[1-(4-fluorophenyl)propylamino]methyl]-N,N-dimethylcyclobutan-1-amine has a molecular weight of 264.39 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-fluorophenyl)propylamino]methyl]-N,N-dimethylcyclobutan-1-amine is sourced from PubChem (CID 105415705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).