1-cyclopentyl-N-[(2,6-difluorophenyl)methyl]methanamine

C13H17F2N — CID 43370931

IUPAC1-cyclopentyl-N-[(2,6-difluorophenyl)methyl]methanamine
SMILESFc1cccc(F)c1CNCC1CCCC1
InChIInChI=1S/C13H17F2N/c14-12-6-3-7-13(15)11(12)9-16-8-10-4-1-2-5-10/h3,6-7,10,16H,1-2,4-5,8-9H2
InChIKeyMPMJTQNRYPEGNV-UHFFFAOYSA-N
MW225.28 g/mol
LogP3.24
Rot. Bonds4

About 1-cyclopentyl-N-[(2,6-difluorophenyl)methyl]methanamine

1-cyclopentyl-N-[(2,6-difluorophenyl)methyl]methanamine (PubChem CID 43370931) has the molecular formula C13H17F2N and a molecular weight of 225.28 g/mol. Its IUPAC name is 1-cyclopentyl-N-[(2,6-difluorophenyl)methyl]methanamine.

Molecular Properties

Compound Name1-cyclopentyl-N-[(2,6-difluorophenyl)methyl]methanamine
PubChem CID43370931
Molecular FormulaC13H17F2N
Molecular Weight225.28 g/mol
Exact Mass225.13
IUPAC Name1-cyclopentyl-N-[(2,6-difluorophenyl)methyl]methanamine
SMILESFc1cccc(F)c1CNCC1CCCC1
InChIInChI=1S/C13H17F2N/c14-12-6-3-7-13(15)11(12)9-16-8-10-4-1-2-5-10/h3,6-7,10,16H,1-2,4-5,8-9H2
InChIKeyMPMJTQNRYPEGNV-UHFFFAOYSA-N
XLogP3.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-chloro-6-fluorophenyl)methyl]-1-cyclohexylmethanamine
CID 43215545
2-[[(2,6-difluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 64926870
N-(cyclopropylmethyl)-2-(2,6-difluorophenyl)ethanamine
CID 78921629
1-cyclopropyl-N-[(2,3-difluorophenyl)methyl]methanamine
CID 43658793
N-[(2,6-difluorophenyl)methyl]-1-(1,1-dioxothiolan-2-yl)methanamine
CID 71916404
1-cyclopentyl-N-[(2,4-difluorophenyl)methyl]methanamine
CID 43317286
2-[(cyclopentylmethylamino)methyl]phenol
CID 43370918
2-(cyclohexylmethylamino)-N-(2,6-difluorophenyl)acetamide
CID 43405285
N-[(2,6-dichlorophenyl)methyl]-1-[3-[[(2,6-dichlorophenyl)methylamino]methyl]cyclohexyl]methanamine
CID 46231607
N-(cyclopentylmethyl)-2-(4-fluoroindol-1-yl)ethanamine
CID 82791538
2-(cyclohexylmethylamino)-N-(2-fluorophenyl)acetamide
CID 43215446
N-[(2,6-difluorophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine
CID 63897583

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[(2,6-difluorophenyl)methyl]methanamine?
The IUPAC name of 1-cyclopentyl-N-[(2,6-difluorophenyl)methyl]methanamine (CID 43370931) is 1-cyclopentyl-N-[(2,6-difluorophenyl)methyl]methanamine.
What is the SMILES notation for 1-cyclopentyl-N-[(2,6-difluorophenyl)methyl]methanamine?
The canonical SMILES for 1-cyclopentyl-N-[(2,6-difluorophenyl)methyl]methanamine is Fc1cccc(F)c1CNCC1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-[(2,6-difluorophenyl)methyl]methanamine?
The InChIKey is MPMJTQNRYPEGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N/c14-12-6-3-7-13(15)11(12)9-16-8-10-4-1-2-5-10/h3,6-7,10,16H,1-2,4-5,8-9H2.
What are the key properties of 1-cyclopentyl-N-[(2,6-difluorophenyl)methyl]methanamine?
1-cyclopentyl-N-[(2,6-difluorophenyl)methyl]methanamine has a molecular weight of 225.28 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[(2,6-difluorophenyl)methyl]methanamine is sourced from PubChem (CID 43370931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).