1-[3-[(3-chloro-4-fluorophenyl)methyl]-2-cyclopropyloxolan-3-yl]-N-methylmethanamine

C16H21ClFNO — CID 103041199

IUPAC1-[3-[(3-chloro-4-fluorophenyl)methyl]-2-cyclopropyloxolan-3-yl]-N-methylmethanamine
SMILESCNCC1(Cc2ccc(F)c(Cl)c2)CCOC1C1CC1
InChIInChI=1S/C16H21ClFNO/c1-19-10-16(6-7-20-15(16)12-3-4-12)9-11-2-5-14(18)13(17)8-11/h2,5,8,12,15,19H,3-4,6-7,9-10H2,1H3
InChIKeySRALEAMHJYAZFI-UHFFFAOYSA-N
MW297.80 g/mol
LogP3.43
Rot. Bonds5

About 1-[3-[(3-chloro-4-fluorophenyl)methyl]-2-cyclopropyloxolan-3-yl]-N-methylmethanamine

1-[3-[(3-chloro-4-fluorophenyl)methyl]-2-cyclopropyloxolan-3-yl]-N-methylmethanamine (PubChem CID 103041199) has the molecular formula C16H21ClFNO and a molecular weight of 297.80 g/mol. Its IUPAC name is 1-[3-[(3-chloro-4-fluorophenyl)methyl]-2-cyclopropyloxolan-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-[(3-chloro-4-fluorophenyl)methyl]-2-cyclopropyloxolan-3-yl]-N-methylmethanamine
PubChem CID103041199
Molecular FormulaC16H21ClFNO
Molecular Weight297.80 g/mol
Exact Mass297.13
IUPAC Name1-[3-[(3-chloro-4-fluorophenyl)methyl]-2-cyclopropyloxolan-3-yl]-N-methylmethanamine
SMILESCNCC1(Cc2ccc(F)c(Cl)c2)CCOC1C1CC1
InChIInChI=1S/C16H21ClFNO/c1-19-10-16(6-7-20-15(16)12-3-4-12)9-11-2-5-14(18)13(17)8-11/h2,5,8,12,15,19H,3-4,6-7,9-10H2,1H3
InChIKeySRALEAMHJYAZFI-UHFFFAOYSA-N
XLogP3.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.80
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-2-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine
CID 103029549
[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
N-[[4-[(3-chloro-4-fluorophenyl)methyl]oxan-4-yl]methyl]ethanamine
CID 103041097
N-[[4-[(3-chloro-4-fluorophenyl)methyl]oxan-4-yl]methyl]propan-1-amine
CID 103041098
N-[[4-[(3-chloro-4-fluorophenyl)methyl]oxan-4-yl]methyl]propan-2-amine
CID 103041099
N-[[4-[(3-chloro-4-fluorophenyl)methyl]oxan-4-yl]methyl]-2-methylpropan-2-amine
CID 103041101

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3-chloro-4-fluorophenyl)methyl]-2-cyclopropyloxolan-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[3-[(3-chloro-4-fluorophenyl)methyl]-2-cyclopropyloxolan-3-yl]-N-methylmethanamine (CID 103041199) is 1-[3-[(3-chloro-4-fluorophenyl)methyl]-2-cyclopropyloxolan-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-[(3-chloro-4-fluorophenyl)methyl]-2-cyclopropyloxolan-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[3-[(3-chloro-4-fluorophenyl)methyl]-2-cyclopropyloxolan-3-yl]-N-methylmethanamine is CNCC1(Cc2ccc(F)c(Cl)c2)CCOC1C1CC1.
What is the InChIKey of 1-[3-[(3-chloro-4-fluorophenyl)methyl]-2-cyclopropyloxolan-3-yl]-N-methylmethanamine?
The InChIKey is SRALEAMHJYAZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClFNO/c1-19-10-16(6-7-20-15(16)12-3-4-12)9-11-2-5-14(18)13(17)8-11/h2,5,8,12,15,19H,3-4,6-7,9-10H2,1H3.
What are the key properties of 1-[3-[(3-chloro-4-fluorophenyl)methyl]-2-cyclopropyloxolan-3-yl]-N-methylmethanamine?
1-[3-[(3-chloro-4-fluorophenyl)methyl]-2-cyclopropyloxolan-3-yl]-N-methylmethanamine has a molecular weight of 297.80 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3-chloro-4-fluorophenyl)methyl]-2-cyclopropyloxolan-3-yl]-N-methylmethanamine is sourced from PubChem (CID 103041199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).