1-cyclopentyl-N-[(2,4-difluorophenyl)methyl]methanamine

C13H17F2N — CID 43317286

IUPAC1-cyclopentyl-N-[(2,4-difluorophenyl)methyl]methanamine
SMILESFc1ccc(CNCC2CCCC2)c(F)c1
InChIInChI=1S/C13H17F2N/c14-12-6-5-11(13(15)7-12)9-16-8-10-3-1-2-4-10/h5-7,10,16H,1-4,8-9H2
InChIKeyRMTJPKGKQCQXSC-UHFFFAOYSA-N
MW225.28 g/mol
LogP3.24
Rot. Bonds4

About 1-cyclopentyl-N-[(2,4-difluorophenyl)methyl]methanamine

1-cyclopentyl-N-[(2,4-difluorophenyl)methyl]methanamine (PubChem CID 43317286) has the molecular formula C13H17F2N and a molecular weight of 225.28 g/mol. Its IUPAC name is 1-cyclopentyl-N-[(2,4-difluorophenyl)methyl]methanamine.

Molecular Properties

Compound Name1-cyclopentyl-N-[(2,4-difluorophenyl)methyl]methanamine
PubChem CID43317286
Molecular FormulaC13H17F2N
Molecular Weight225.28 g/mol
Exact Mass225.13
IUPAC Name1-cyclopentyl-N-[(2,4-difluorophenyl)methyl]methanamine
SMILESFc1ccc(CNCC2CCCC2)c(F)c1
InChIInChI=1S/C13H17F2N/c14-12-6-5-11(13(15)7-12)9-16-8-10-3-1-2-4-10/h5-7,10,16H,1-4,8-9H2
InChIKeyRMTJPKGKQCQXSC-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-[(2,4-difluorophenyl)methyl]-1-piperidin-4-ylmethanamine
CID 79707069
N-[(2,4-difluorophenyl)methyl]-1-(oxolan-3-yl)methanamine
CID 60920891
N-[(2,4-difluorophenyl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 106638289
4-[(cyclopentylmethylamino)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 77030237
N-[(4-bromo-2-fluorophenyl)methyl]-1-cyclopropylmethanamine
CID 43364189
2-cyclohexyloxy-N-[(2,4-difluorophenyl)methyl]ethanamine
CID 55220336
1-cycloheptyl-3-(2,4-difluorophenyl)propan-2-one
CID 114458081
1-cyclopentyl-N-[(2,4-dichlorophenyl)methyl]methanamine
CID 43317354
N-[(2,4-difluorophenyl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79352064
1-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-N-(naphthalen-1-ylmethyl)methanamine
CID 142138954
1-(4-chlorocyclohexyl)-N-[(4-chloro-2-fluorophenyl)methyl]methanamine
CID 114146496
4-[[(4-chloro-2-fluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 114147064

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[(2,4-difluorophenyl)methyl]methanamine?
The IUPAC name of 1-cyclopentyl-N-[(2,4-difluorophenyl)methyl]methanamine (CID 43317286) is 1-cyclopentyl-N-[(2,4-difluorophenyl)methyl]methanamine.
What is the SMILES notation for 1-cyclopentyl-N-[(2,4-difluorophenyl)methyl]methanamine?
The canonical SMILES for 1-cyclopentyl-N-[(2,4-difluorophenyl)methyl]methanamine is Fc1ccc(CNCC2CCCC2)c(F)c1.
What is the InChIKey of 1-cyclopentyl-N-[(2,4-difluorophenyl)methyl]methanamine?
The InChIKey is RMTJPKGKQCQXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N/c14-12-6-5-11(13(15)7-12)9-16-8-10-3-1-2-4-10/h5-7,10,16H,1-4,8-9H2.
What are the key properties of 1-cyclopentyl-N-[(2,4-difluorophenyl)methyl]methanamine?
1-cyclopentyl-N-[(2,4-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-[(2,4-difluorophenyl)methyl]methanamine is sourced from PubChem (CID 43317286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).