N-[[2-[(3-fluorophenyl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine

C17H26FN — CID 81028348

IUPACN-[[2-[(3-fluorophenyl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCCC1Cc1cccc(F)c1
InChIInChI=1S/C17H26FN/c1-13(2)11-19-12-16-7-4-6-15(16)9-14-5-3-8-17(18)10-14/h3,5,8,10,13,15-16,19H,4,6-7,9,11-12H2,1-2H3
InChIKeyABRKJTNRDKJOHH-UHFFFAOYSA-N
MW263.40 g/mol
LogP4.03
Rot. Bonds6

About N-[[2-[(3-fluorophenyl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine

N-[[2-[(3-fluorophenyl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine (PubChem CID 81028348) has the molecular formula C17H26FN and a molecular weight of 263.40 g/mol. Its IUPAC name is N-[[2-[(3-fluorophenyl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-[(3-fluorophenyl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine
PubChem CID81028348
Molecular FormulaC17H26FN
Molecular Weight263.40 g/mol
Exact Mass263.20
IUPAC NameN-[[2-[(3-fluorophenyl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCCC1Cc1cccc(F)c1
InChIInChI=1S/C17H26FN/c1-13(2)11-19-12-16-7-4-6-15(16)9-14-5-3-8-17(18)10-14/h3,5,8,10,13,15-16,19H,4,6-7,9,11-12H2,1-2H3
InChIKeyABRKJTNRDKJOHH-UHFFFAOYSA-N
XLogP4.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[[2-[(3-fluorophenyl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine with MolForge

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Related Compounds

N-[(2-benzylcyclopentyl)methyl]-2-methylpropan-1-amine
CID 81028227
N-[[2-[(3-chlorophenyl)methyl]cycloheptyl]methyl]-2-methylpropan-1-amine
CID 81033962
2-methyl-N-[[2-[(4-methylphenyl)methyl]cyclopentyl]methyl]propan-1-amine
CID 81027821
N-[[2-(2,4-difluorophenyl)cyclopentyl]methyl]-2-methylpropan-1-amine
CID 81028770
N-[[2-(2,6-difluorophenyl)cyclopentyl]methyl]-2-methylpropan-1-amine
CID 81027831
N-[[2-[(2-chlorophenyl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine
CID 81027303
2-methyl-N-[[2-(pyridin-3-ylmethyl)cyclobutyl]methyl]propan-1-amine
CID 104737366
2-methyl-N-[[2-(thiophen-3-ylmethyl)cycloheptyl]methyl]propan-1-amine
CID 81025637
N-[[2-[(5-bromo-2-fluorophenyl)methyl]cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81028553
N-[[2-(3,5-difluorophenyl)cyclopentyl]methyl]-2-methylpropan-1-amine
CID 81028073
2-methyl-N-[[2-(pyridin-2-ylmethyl)cyclopentyl]methyl]propan-1-amine
CID 81028060
N-[[2-(3-fluorophenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine
CID 81031468

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3-fluorophenyl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-[(3-fluorophenyl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine (CID 81028348) is N-[[2-[(3-fluorophenyl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-[(3-fluorophenyl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-[(3-fluorophenyl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine is CC(C)CNCC1CCCC1Cc1cccc(F)c1.
What is the InChIKey of N-[[2-[(3-fluorophenyl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine?
The InChIKey is ABRKJTNRDKJOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN/c1-13(2)11-19-12-16-7-4-6-15(16)9-14-5-3-8-17(18)10-14/h3,5,8,10,13,15-16,19H,4,6-7,9,11-12H2,1-2H3.
What are the key properties of N-[[2-[(3-fluorophenyl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine?
N-[[2-[(3-fluorophenyl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine has a molecular weight of 263.40 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3-fluorophenyl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 81028348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).