N-[(3-chloro-2-fluorophenyl)methyl]-3-methyloxolan-3-amine

C12H15ClFNO — CID 115768576

IUPACN-[(3-chloro-2-fluorophenyl)methyl]-3-methyloxolan-3-amine
SMILESCC1(NCc2cccc(Cl)c2F)CCOC1
InChIInChI=1S/C12H15ClFNO/c1-12(5-6-16-8-12)15-7-9-3-2-4-10(13)11(9)14/h2-4,15H,5-8H2,1H3
InChIKeyQTMYNQASAIOYCX-UHFFFAOYSA-N
MW243.71 g/mol
LogP2.75
Rot. Bonds3

About N-[(3-chloro-2-fluorophenyl)methyl]-3-methyloxolan-3-amine

N-[(3-chloro-2-fluorophenyl)methyl]-3-methyloxolan-3-amine (PubChem CID 115768576) has the molecular formula C12H15ClFNO and a molecular weight of 243.71 g/mol. Its IUPAC name is N-[(3-chloro-2-fluorophenyl)methyl]-3-methyloxolan-3-amine.

Molecular Properties

Compound NameN-[(3-chloro-2-fluorophenyl)methyl]-3-methyloxolan-3-amine
PubChem CID115768576
Molecular FormulaC12H15ClFNO
Molecular Weight243.71 g/mol
Exact Mass243.08
IUPAC NameN-[(3-chloro-2-fluorophenyl)methyl]-3-methyloxolan-3-amine
SMILESCC1(NCc2cccc(Cl)c2F)CCOC1
InChIInChI=1S/C12H15ClFNO/c1-12(5-6-16-8-12)15-7-9-3-2-4-10(13)11(9)14/h2-4,15H,5-8H2,1H3
InChIKeyQTMYNQASAIOYCX-UHFFFAOYSA-N
XLogP2.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.71
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,3-dichlorophenyl)methyl]-3-methyloxolan-3-amine
CID 115768729
N-[(2,3-dichlorophenyl)methyl]-3-methyloxan-3-amine
CID 103897522
2-[[(3-methyloxolan-3-yl)amino]methyl]phenol
CID 115768602
1-(3-chloro-2-fluorophenyl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
CID 104704871
N-[(2-amino-3-fluorophenyl)methyl]-3-methyloxan-3-amine
CID 114113972
N-[(2,3-dimethoxyphenyl)methyl]-3-methyloxolan-3-amine
CID 115768698
N-[(3-chloro-2-fluorophenyl)methyl]oxetan-3-amine
CID 114487622
3-(bromomethyl)-3-[(3-chloro-2-fluorophenyl)methyl]oxolane
CID 102863787
N-[(5-chlorofuran-2-yl)methyl]-3-methyloxolan-3-amine
CID 115768841
N-[(2,5-dimethylphenyl)methyl]-3-methyloxolan-3-amine
CID 115768702
N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-3-methyloxan-3-amine
CID 103897407
N-[(2-bromothiophen-3-yl)methyl]-3-methyloxolan-3-amine
CID 131025793

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-2-fluorophenyl)methyl]-3-methyloxolan-3-amine?
The IUPAC name of N-[(3-chloro-2-fluorophenyl)methyl]-3-methyloxolan-3-amine (CID 115768576) is N-[(3-chloro-2-fluorophenyl)methyl]-3-methyloxolan-3-amine.
What is the SMILES notation for N-[(3-chloro-2-fluorophenyl)methyl]-3-methyloxolan-3-amine?
The canonical SMILES for N-[(3-chloro-2-fluorophenyl)methyl]-3-methyloxolan-3-amine is CC1(NCc2cccc(Cl)c2F)CCOC1.
What is the InChIKey of N-[(3-chloro-2-fluorophenyl)methyl]-3-methyloxolan-3-amine?
The InChIKey is QTMYNQASAIOYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO/c1-12(5-6-16-8-12)15-7-9-3-2-4-10(13)11(9)14/h2-4,15H,5-8H2,1H3.
What are the key properties of N-[(3-chloro-2-fluorophenyl)methyl]-3-methyloxolan-3-amine?
N-[(3-chloro-2-fluorophenyl)methyl]-3-methyloxolan-3-amine has a molecular weight of 243.71 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-2-fluorophenyl)methyl]-3-methyloxolan-3-amine is sourced from PubChem (CID 115768576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).