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

C16H21ClFNO — CID 114858962

IUPAC1-[3-[(4-chloro-2-fluorophenyl)methyl]-2-cyclopropyloxolan-3-yl]-N-methylmethanamine
SMILESCNCC1(Cc2ccc(Cl)cc2F)CCOC1C1CC1
InChIInChI=1S/C16H21ClFNO/c1-19-10-16(6-7-20-15(16)11-2-3-11)9-12-4-5-13(17)8-14(12)18/h4-5,8,11,15,19H,2-3,6-7,9-10H2,1H3
InChIKeyUBNLPMNJJQKWPT-UHFFFAOYSA-N
MW297.80 g/mol
LogP3.43
Rot. Bonds5

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

1-[3-[(4-chloro-2-fluorophenyl)methyl]-2-cyclopropyloxolan-3-yl]-N-methylmethanamine (PubChem CID 114858962) has the molecular formula C16H21ClFNO and a molecular weight of 297.80 g/mol. Its IUPAC name is 1-[3-[(4-chloro-2-fluorophenyl)methyl]-2-cyclopropyloxolan-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-[(4-chloro-2-fluorophenyl)methyl]-2-cyclopropyloxolan-3-yl]-N-methylmethanamine
PubChem CID114858962
Molecular FormulaC16H21ClFNO
Molecular Weight297.80 g/mol
Exact Mass297.13
IUPAC Name1-[3-[(4-chloro-2-fluorophenyl)methyl]-2-cyclopropyloxolan-3-yl]-N-methylmethanamine
SMILESCNCC1(Cc2ccc(Cl)cc2F)CCOC1C1CC1
InChIInChI=1S/C16H21ClFNO/c1-19-10-16(6-7-20-15(16)11-2-3-11)9-12-4-5-13(17)8-14(12)18/h4-5,8,11,15,19H,2-3,6-7,9-10H2,1H3
InChIKeyUBNLPMNJJQKWPT-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

N-[[2-cyclopropyl-3-[(2,4-dichlorophenyl)methyl]oxolan-3-yl]methyl]ethanamine
CID 104509663
N-[[2-cyclopropyl-3-[(2,5-difluorophenyl)methyl]oxolan-3-yl]methyl]ethanamine
CID 104509713
N-[[3-[(4-chloro-2-fluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]ethanamine
CID 114858971
3-[[2-cyclopropyl-3-(methylaminomethyl)oxolan-3-yl]methyl]phenol
CID 104509630
[3-[(5-bromo-2-fluorophenyl)methyl]-2-cyclopropyloxolan-3-yl]methanol
CID 104510431
3-[(4-bromo-2-chlorophenyl)methyl]-3-(bromomethyl)-2-cyclopropyloxolane
CID 113471676
[3-[(2-bromo-4-fluorophenyl)methyl]-2-cyclopropyloxolan-3-yl]methanol
CID 104510390
3-(bromomethyl)-2-cyclopropyl-3-[(2,3-dichlorophenyl)methyl]oxolane
CID 107310849
1-[2-cyclopropyl-3-(3-methylbutyl)oxolan-3-yl]-N-methylmethanamine
CID 104509569
N-[[3-[(5-chlorothiophen-2-yl)methyl]-2-cyclopropyloxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 104510031
N-[[3-[(2,4-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]ethanamine
CID 114534401
1-[(4-chloro-2-fluorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 114853407

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-chloro-2-fluorophenyl)methyl]-2-cyclopropyloxolan-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[3-[(4-chloro-2-fluorophenyl)methyl]-2-cyclopropyloxolan-3-yl]-N-methylmethanamine (CID 114858962) is 1-[3-[(4-chloro-2-fluorophenyl)methyl]-2-cyclopropyloxolan-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-[(4-chloro-2-fluorophenyl)methyl]-2-cyclopropyloxolan-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[3-[(4-chloro-2-fluorophenyl)methyl]-2-cyclopropyloxolan-3-yl]-N-methylmethanamine is CNCC1(Cc2ccc(Cl)cc2F)CCOC1C1CC1.
What is the InChIKey of 1-[3-[(4-chloro-2-fluorophenyl)methyl]-2-cyclopropyloxolan-3-yl]-N-methylmethanamine?
The InChIKey is UBNLPMNJJQKWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClFNO/c1-19-10-16(6-7-20-15(16)11-2-3-11)9-12-4-5-13(17)8-14(12)18/h4-5,8,11,15,19H,2-3,6-7,9-10H2,1H3.
What are the key properties of 1-[3-[(4-chloro-2-fluorophenyl)methyl]-2-cyclopropyloxolan-3-yl]-N-methylmethanamine?
1-[3-[(4-chloro-2-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-[(4-chloro-2-fluorophenyl)methyl]-2-cyclopropyloxolan-3-yl]-N-methylmethanamine is sourced from PubChem (CID 114858962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).