N-[[3-[(5-fluoro-2-methylphenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine

C17H24FNO — CID 105375069

IUPACN-[[3-[(5-fluoro-2-methylphenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine
SMILESCc1ccc(F)cc1CC1(CNC2CC2)CCOC1C
InChIInChI=1S/C17H24FNO/c1-12-3-4-15(18)9-14(12)10-17(7-8-20-13(17)2)11-19-16-5-6-16/h3-4,9,13,16,19H,5-8,10-11H2,1-2H3
InChIKeyTWAWMLJHKVKRKU-UHFFFAOYSA-N
MW277.38 g/mol
LogP3.22
Rot. Bonds5

About N-[[3-[(5-fluoro-2-methylphenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine

N-[[3-[(5-fluoro-2-methylphenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine (PubChem CID 105375069) has the molecular formula C17H24FNO and a molecular weight of 277.38 g/mol. Its IUPAC name is N-[[3-[(5-fluoro-2-methylphenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[(5-fluoro-2-methylphenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine
PubChem CID105375069
Molecular FormulaC17H24FNO
Molecular Weight277.38 g/mol
Exact Mass277.18
IUPAC NameN-[[3-[(5-fluoro-2-methylphenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine
SMILESCc1ccc(F)cc1CC1(CNC2CC2)CCOC1C
InChIInChI=1S/C17H24FNO/c1-12-3-4-15(18)9-14(12)10-17(7-8-20-13(17)2)11-19-16-5-6-16/h3-4,9,13,16,19H,5-8,10-11H2,1-2H3
InChIKeyTWAWMLJHKVKRKU-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.38
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[(5-fluoro-2-methylphenyl)methyl]cyclopentyl]methyl]cyclopropanamine
CID 105374919
N-[[3-[(2,6-dimethylphenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine
CID 114534899
N-[[3-[(3,4-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine
CID 114534816
N-[[3-[(2,5-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]propan-1-amine
CID 114534580
N-[[3-[(4-fluoro-2-methylphenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methoxyethanamine
CID 114535253
N-[[3-[(2-chlorophenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine
CID 114534792
N-[[3-[(2-bromophenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine
CID 114534859
N-[[3-[(2,4-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]ethanamine
CID 114534401
N-[[3-[(2,5-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 114535168
2-cyclopropyl-3-[(5-fluoro-2-methylphenyl)methyl]oxolan-3-amine
CID 105375834
N-[[3-[(4-fluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]propan-2-amine
CID 114534661
N-[(5-fluoro-2-methylphenyl)methyl]-2-methyloxolan-3-amine
CID 115968324

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(5-fluoro-2-methylphenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[(5-fluoro-2-methylphenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine (CID 105375069) is N-[[3-[(5-fluoro-2-methylphenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[(5-fluoro-2-methylphenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[(5-fluoro-2-methylphenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine is Cc1ccc(F)cc1CC1(CNC2CC2)CCOC1C.
What is the InChIKey of N-[[3-[(5-fluoro-2-methylphenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine?
The InChIKey is TWAWMLJHKVKRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO/c1-12-3-4-15(18)9-14(12)10-17(7-8-20-13(17)2)11-19-16-5-6-16/h3-4,9,13,16,19H,5-8,10-11H2,1-2H3.
What are the key properties of N-[[3-[(5-fluoro-2-methylphenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine?
N-[[3-[(5-fluoro-2-methylphenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine has a molecular weight of 277.38 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(5-fluoro-2-methylphenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 105375069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).