N-[[3-[(3,4-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine

C16H21F2NO — CID 114534816

IUPACN-[[3-[(3,4-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine
SMILESCC1OCCC1(CNC1CC1)Cc1ccc(F)c(F)c1
InChIInChI=1S/C16H21F2NO/c1-11-16(6-7-20-11,10-19-13-3-4-13)9-12-2-5-14(17)15(18)8-12/h2,5,8,11,13,19H,3-4,6-7,9-10H2,1H3
InChIKeyKBHNRRAILVUNFH-UHFFFAOYSA-N
MW281.35 g/mol
LogP3.05
Rot. Bonds5

About N-[[3-[(3,4-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine

N-[[3-[(3,4-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine (PubChem CID 114534816) has the molecular formula C16H21F2NO and a molecular weight of 281.35 g/mol. Its IUPAC name is N-[[3-[(3,4-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[(3,4-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine
PubChem CID114534816
Molecular FormulaC16H21F2NO
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC NameN-[[3-[(3,4-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine
SMILESCC1OCCC1(CNC1CC1)Cc1ccc(F)c(F)c1
InChIInChI=1S/C16H21F2NO/c1-11-16(6-7-20-11,10-19-13-3-4-13)9-12-2-5-14(17)15(18)8-12/h2,5,8,11,13,19H,3-4,6-7,9-10H2,1H3
InChIKeyKBHNRRAILVUNFH-UHFFFAOYSA-N
XLogP3.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(bromomethyl)-3-[(3,4-difluorophenyl)methyl]-2-methyloxolane
CID 114535939
N-[[3-[(5-fluoro-2-methylphenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine
CID 105375069
N-[[3-[(2,6-dimethylphenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine
CID 114534899
N-[[1-[(3,4-difluorophenyl)methyl]cyclohexyl]methyl]cyclopropanamine
CID 82930846
N-[[3-[(4-chloro-3-fluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]propan-1-amine
CID 107897618
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
[2-cyclopropyl-3-[(3,4-difluorophenyl)methyl]oxolan-3-yl]methanamine
CID 104509406
N-[[3-[(4-fluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]propan-2-amine
CID 114534661
N-[[3-[(3,5-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 105408565
N-[[3-[(4-bromophenyl)methyl]-2-cyclopropyloxolan-3-yl]methyl]cyclopropanamine
CID 104509960
[3-[(4-fluorophenyl)methyl]-2-methyloxolan-3-yl]methanol
CID 114535533

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(3,4-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[(3,4-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine (CID 114534816) is N-[[3-[(3,4-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[(3,4-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[(3,4-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine is CC1OCCC1(CNC1CC1)Cc1ccc(F)c(F)c1.
What is the InChIKey of N-[[3-[(3,4-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine?
The InChIKey is KBHNRRAILVUNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2NO/c1-11-16(6-7-20-11,10-19-13-3-4-13)9-12-2-5-14(17)15(18)8-12/h2,5,8,11,13,19H,3-4,6-7,9-10H2,1H3.
What are the key properties of N-[[3-[(3,4-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine?
N-[[3-[(3,4-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine has a molecular weight of 281.35 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(3,4-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 114534816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).