[3-[(5-chloro-2-fluorophenyl)methyl]-2-cyclopropyloxolan-3-yl]methanamine

C15H19ClFNO — CID 103049843

IUPAC[3-[(5-chloro-2-fluorophenyl)methyl]-2-cyclopropyloxolan-3-yl]methanamine
SMILESNCC1(Cc2cc(Cl)ccc2F)CCOC1C1CC1
InChIInChI=1S/C15H19ClFNO/c16-12-3-4-13(17)11(7-12)8-15(9-18)5-6-19-14(15)10-1-2-10/h3-4,7,10,14H,1-2,5-6,8-9,18H2
InChIKeyMPVARFUTOAXOHA-UHFFFAOYSA-N
MW283.77 g/mol
LogP3.17
Rot. Bonds4

About [3-[(5-chloro-2-fluorophenyl)methyl]-2-cyclopropyloxolan-3-yl]methanamine

[3-[(5-chloro-2-fluorophenyl)methyl]-2-cyclopropyloxolan-3-yl]methanamine (PubChem CID 103049843) has the molecular formula C15H19ClFNO and a molecular weight of 283.77 g/mol. Its IUPAC name is [3-[(5-chloro-2-fluorophenyl)methyl]-2-cyclopropyloxolan-3-yl]methanamine.

Molecular Properties

Compound Name[3-[(5-chloro-2-fluorophenyl)methyl]-2-cyclopropyloxolan-3-yl]methanamine
PubChem CID103049843
Molecular FormulaC15H19ClFNO
Molecular Weight283.77 g/mol
Exact Mass283.11
IUPAC Name[3-[(5-chloro-2-fluorophenyl)methyl]-2-cyclopropyloxolan-3-yl]methanamine
SMILESNCC1(Cc2cc(Cl)ccc2F)CCOC1C1CC1
InChIInChI=1S/C15H19ClFNO/c16-12-3-4-13(17)11(7-12)8-15(9-18)5-6-19-14(15)10-1-2-10/h3-4,7,10,14H,1-2,5-6,8-9,18H2
InChIKeyMPVARFUTOAXOHA-UHFFFAOYSA-N
XLogP3.17
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.77
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [3-[(5-chloro-2-fluorophenyl)methyl]-2-cyclopropyloxolan-3-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-[(3-Chloro-4-fluorophenyl)methyl]oxolan-3-yl]methanamine
CID 103041031
1-[3-[(3-chloro-4-fluorophenyl)methyl]oxolan-3-yl]-N-methylmethanamine
CID 103041088
N-[[3-[(3-chloro-4-fluorophenyl)methyl]oxolan-3-yl]methyl]propan-1-amine
CID 103041090
N-[[3-[(3-chloro-4-fluorophenyl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 103041093
N-[[3-[(3-chloro-4-fluorophenyl)methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 103041094
N-[[3-[(3-chloro-4-fluorophenyl)methyl]oxolan-3-yl]methyl]-2-methoxyethanamine
CID 103041095
1-[4-[(3-chloro-4-fluorophenyl)methyl]oxan-4-yl]-N-methylmethanamine
CID 103041096
1-[3-[(3-chloro-4-fluorophenyl)methyl]-2-cyclopropyloxolan-3-yl]-N-methylmethanamine
CID 103041199
N-[[3-[(3-chloro-4-fluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]ethanamine
CID 103041203
N-[[3-[(3-chloro-4-fluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine
CID 103041206
N-[[3-[(3-chloro-4-fluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 103041208
N-[[3-[(3-chloro-4-fluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methoxyethanamine
CID 103041209

Frequently Asked Questions

What is the IUPAC name of [3-[(5-chloro-2-fluorophenyl)methyl]-2-cyclopropyloxolan-3-yl]methanamine?
The IUPAC name of [3-[(5-chloro-2-fluorophenyl)methyl]-2-cyclopropyloxolan-3-yl]methanamine (CID 103049843) is [3-[(5-chloro-2-fluorophenyl)methyl]-2-cyclopropyloxolan-3-yl]methanamine.
What is the SMILES notation for [3-[(5-chloro-2-fluorophenyl)methyl]-2-cyclopropyloxolan-3-yl]methanamine?
The canonical SMILES for [3-[(5-chloro-2-fluorophenyl)methyl]-2-cyclopropyloxolan-3-yl]methanamine is NCC1(Cc2cc(Cl)ccc2F)CCOC1C1CC1.
What is the InChIKey of [3-[(5-chloro-2-fluorophenyl)methyl]-2-cyclopropyloxolan-3-yl]methanamine?
The InChIKey is MPVARFUTOAXOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFNO/c16-12-3-4-13(17)11(7-12)8-15(9-18)5-6-19-14(15)10-1-2-10/h3-4,7,10,14H,1-2,5-6,8-9,18H2.
What are the key properties of [3-[(5-chloro-2-fluorophenyl)methyl]-2-cyclopropyloxolan-3-yl]methanamine?
[3-[(5-chloro-2-fluorophenyl)methyl]-2-cyclopropyloxolan-3-yl]methanamine has a molecular weight of 283.77 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(5-chloro-2-fluorophenyl)methyl]-2-cyclopropyloxolan-3-yl]methanamine is sourced from PubChem (CID 103049843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).