N-[[1-[(5-fluoro-2-methylphenyl)methyl]cyclopentyl]methyl]cyclopropanamine

C17H24FN — CID 105374919

IUPACN-[[1-[(5-fluoro-2-methylphenyl)methyl]cyclopentyl]methyl]cyclopropanamine
SMILESCc1ccc(F)cc1CC1(CNC2CC2)CCCC1
InChIInChI=1S/C17H24FN/c1-13-4-5-15(18)10-14(13)11-17(8-2-3-9-17)12-19-16-6-7-16/h4-5,10,16,19H,2-3,6-9,11-12H2,1H3
InChIKeyUZSMPXJDYFDENI-UHFFFAOYSA-N
MW261.38 g/mol
LogP3.99
Rot. Bonds5

About N-[[1-[(5-fluoro-2-methylphenyl)methyl]cyclopentyl]methyl]cyclopropanamine

N-[[1-[(5-fluoro-2-methylphenyl)methyl]cyclopentyl]methyl]cyclopropanamine (PubChem CID 105374919) has the molecular formula C17H24FN and a molecular weight of 261.38 g/mol. Its IUPAC name is N-[[1-[(5-fluoro-2-methylphenyl)methyl]cyclopentyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[(5-fluoro-2-methylphenyl)methyl]cyclopentyl]methyl]cyclopropanamine
PubChem CID105374919
Molecular FormulaC17H24FN
Molecular Weight261.38 g/mol
Exact Mass261.19
IUPAC NameN-[[1-[(5-fluoro-2-methylphenyl)methyl]cyclopentyl]methyl]cyclopropanamine
SMILESCc1ccc(F)cc1CC1(CNC2CC2)CCCC1
InChIInChI=1S/C17H24FN/c1-13-4-5-15(18)10-14(13)11-17(8-2-3-9-17)12-19-16-6-7-16/h4-5,10,16,19H,2-3,6-9,11-12H2,1H3
InChIKeyUZSMPXJDYFDENI-UHFFFAOYSA-N
XLogP3.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.38
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[1-[(5-fluoro-2-methylphenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 105374909
2-[[1-(bromomethyl)cyclohexyl]methyl]-4-fluoro-1-methylbenzene
CID 105376025
N-[[3-[(5-fluoro-2-methylphenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine
CID 105375069
N-[[4-[(5-fluoro-2-methylphenyl)methyl]oxan-4-yl]methyl]propan-2-amine
CID 105374964
N-[[4-[(2,4-difluorophenyl)methyl]oxan-4-yl]methyl]cyclopropanamine
CID 62906967
N-[[1-[(3,4-difluorophenyl)methyl]cyclohexyl]methyl]cyclopropanamine
CID 82930846
N-ethyl-3-[(5-fluoro-2-methylphenyl)methyl]-3-methylcyclopentan-1-amine
CID 105375560
N-[[1-[(2,5-difluorophenyl)methyl]cyclopentyl]methyl]propan-2-amine
CID 62725796
N-[[3-[(2,5-difluorophenyl)methyl]oxolan-3-yl]methyl]cyclopropanamine
CID 62717882
[1-[(5-fluoro-2-methylphenyl)methyl]-4,4-dimethylcyclohexyl]methanamine
CID 105375873
N-[[1-[(5-bromo-2-methoxyphenyl)methyl]cyclohexyl]methyl]cyclopropanamine
CID 63509042
1-[(5-fluoro-2-methylphenyl)methyl]cyclohexan-1-ol
CID 105372690

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-fluoro-2-methylphenyl)methyl]cyclopentyl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[(5-fluoro-2-methylphenyl)methyl]cyclopentyl]methyl]cyclopropanamine (CID 105374919) is N-[[1-[(5-fluoro-2-methylphenyl)methyl]cyclopentyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[(5-fluoro-2-methylphenyl)methyl]cyclopentyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[(5-fluoro-2-methylphenyl)methyl]cyclopentyl]methyl]cyclopropanamine is Cc1ccc(F)cc1CC1(CNC2CC2)CCCC1.
What is the InChIKey of N-[[1-[(5-fluoro-2-methylphenyl)methyl]cyclopentyl]methyl]cyclopropanamine?
The InChIKey is UZSMPXJDYFDENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN/c1-13-4-5-15(18)10-14(13)11-17(8-2-3-9-17)12-19-16-6-7-16/h4-5,10,16,19H,2-3,6-9,11-12H2,1H3.
What are the key properties of N-[[1-[(5-fluoro-2-methylphenyl)methyl]cyclopentyl]methyl]cyclopropanamine?
N-[[1-[(5-fluoro-2-methylphenyl)methyl]cyclopentyl]methyl]cyclopropanamine has a molecular weight of 261.38 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-fluoro-2-methylphenyl)methyl]cyclopentyl]methyl]cyclopropanamine is sourced from PubChem (CID 105374919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).