5-[[(3-fluorophenyl)methyl-methylamino]methyl]-N,2,2-trimethylcyclopentan-1-amine

C17H27FN2 — CID 79866448

IUPAC5-[[(3-fluorophenyl)methyl-methylamino]methyl]-N,2,2-trimethylcyclopentan-1-amine
SMILESCNC1C(CN(C)Cc2cccc(F)c2)CCC1(C)C
InChIInChI=1S/C17H27FN2/c1-17(2)9-8-14(16(17)19-3)12-20(4)11-13-6-5-7-15(18)10-13/h5-7,10,14,16,19H,8-9,11-12H2,1-4H3
InChIKeyURNLPWXSHHHGIV-UHFFFAOYSA-N
MW278.41 g/mol
LogP3.28
Rot. Bonds5

About 5-[[(3-fluorophenyl)methyl-methylamino]methyl]-N,2,2-trimethylcyclopentan-1-amine

5-[[(3-fluorophenyl)methyl-methylamino]methyl]-N,2,2-trimethylcyclopentan-1-amine (PubChem CID 79866448) has the molecular formula C17H27FN2 and a molecular weight of 278.41 g/mol. Its IUPAC name is 5-[[(3-fluorophenyl)methyl-methylamino]methyl]-N,2,2-trimethylcyclopentan-1-amine.

Molecular Properties

Compound Name5-[[(3-fluorophenyl)methyl-methylamino]methyl]-N,2,2-trimethylcyclopentan-1-amine
PubChem CID79866448
Molecular FormulaC17H27FN2
Molecular Weight278.41 g/mol
Exact Mass278.22
IUPAC Name5-[[(3-fluorophenyl)methyl-methylamino]methyl]-N,2,2-trimethylcyclopentan-1-amine
SMILESCNC1C(CN(C)Cc2cccc(F)c2)CCC1(C)C
InChIInChI=1S/C17H27FN2/c1-17(2)9-8-14(16(17)19-3)12-20(4)11-13-6-5-7-15(18)10-13/h5-7,10,14,16,19H,8-9,11-12H2,1-4H3
InChIKeyURNLPWXSHHHGIV-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,2,2-trimethyl-5-[[methyl(pyridin-3-ylmethyl)amino]methyl]cyclopentan-1-amine
CID 79866723
N,2,2-trimethyl-5-[[methyl(2-phenylethyl)amino]methyl]cyclopentan-1-amine
CID 79855039
5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-N,2,2-trimethylcyclopentan-1-amine
CID 79866037
N,2,2-trimethyl-5-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclopentan-1-amine
CID 79866875
N,2,2-trimethyl-6-[[methyl(pyridin-3-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 79852306
N-ethyl-5-[[(4-fluorophenyl)methyl-methylamino]methyl]-2,2-dimethylcyclopentan-1-amine
CID 79866407
N-[[3,3-dimethyl-2-(methylamino)cyclohexyl]methyl]-N-ethyl-3-fluoroaniline
CID 79842644
N-[(3-fluorophenyl)methyl]-N-methyl-1-(2-methylpyrrolidin-3-yl)methanamine
CID 79385330
N-ethyl-2,2-dimethyl-5-[[methyl(pyridin-3-ylmethyl)amino]methyl]cyclopentan-1-amine
CID 79866959
N,2,2-trimethyl-5-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclopentan-1-amine
CID 79856110
2-[[(3-fluorophenyl)methyl-methylamino]methyl]-2-methylcyclopentan-1-amine
CID 82768565
1-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl-methylamino]-2-methylpropan-2-ol
CID 79856035

Frequently Asked Questions

What is the IUPAC name of 5-[[(3-fluorophenyl)methyl-methylamino]methyl]-N,2,2-trimethylcyclopentan-1-amine?
The IUPAC name of 5-[[(3-fluorophenyl)methyl-methylamino]methyl]-N,2,2-trimethylcyclopentan-1-amine (CID 79866448) is 5-[[(3-fluorophenyl)methyl-methylamino]methyl]-N,2,2-trimethylcyclopentan-1-amine.
What is the SMILES notation for 5-[[(3-fluorophenyl)methyl-methylamino]methyl]-N,2,2-trimethylcyclopentan-1-amine?
The canonical SMILES for 5-[[(3-fluorophenyl)methyl-methylamino]methyl]-N,2,2-trimethylcyclopentan-1-amine is CNC1C(CN(C)Cc2cccc(F)c2)CCC1(C)C.
What is the InChIKey of 5-[[(3-fluorophenyl)methyl-methylamino]methyl]-N,2,2-trimethylcyclopentan-1-amine?
The InChIKey is URNLPWXSHHHGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2/c1-17(2)9-8-14(16(17)19-3)12-20(4)11-13-6-5-7-15(18)10-13/h5-7,10,14,16,19H,8-9,11-12H2,1-4H3.
What are the key properties of 5-[[(3-fluorophenyl)methyl-methylamino]methyl]-N,2,2-trimethylcyclopentan-1-amine?
5-[[(3-fluorophenyl)methyl-methylamino]methyl]-N,2,2-trimethylcyclopentan-1-amine has a molecular weight of 278.41 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3-fluorophenyl)methyl-methylamino]methyl]-N,2,2-trimethylcyclopentan-1-amine is sourced from PubChem (CID 79866448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).