1-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methylphenyl]propan-2-amine

C17H19ClFNO — CID 115958056

IUPAC1-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methylphenyl]propan-2-amine
SMILESCc1cccc(CC(C)N)c1OCc1c(F)cccc1Cl
InChIInChI=1S/C17H19ClFNO/c1-11-5-3-6-13(9-12(2)20)17(11)21-10-14-15(18)7-4-8-16(14)19/h3-8,12H,9-10,20H2,1-2H3
InChIKeyTUFALDLZYUGBPO-UHFFFAOYSA-N
MW307.80 g/mol
LogP4.26
Rot. Bonds5

About 1-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methylphenyl]propan-2-amine

1-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methylphenyl]propan-2-amine (PubChem CID 115958056) has the molecular formula C17H19ClFNO and a molecular weight of 307.80 g/mol. Its IUPAC name is 1-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methylphenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methylphenyl]propan-2-amine
PubChem CID115958056
Molecular FormulaC17H19ClFNO
Molecular Weight307.80 g/mol
Exact Mass307.11
IUPAC Name1-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methylphenyl]propan-2-amine
SMILESCc1cccc(CC(C)N)c1OCc1c(F)cccc1Cl
InChIInChI=1S/C17H19ClFNO/c1-11-5-3-6-13(9-12(2)20)17(11)21-10-14-15(18)7-4-8-16(14)19/h3-8,12H,9-10,20H2,1-2H3
InChIKeyTUFALDLZYUGBPO-UHFFFAOYSA-N
XLogP4.26
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-chloro-2-[[2-(chloromethyl)-6-methylphenoxy]methyl]-3-fluorobenzene
CID 112613291
1-[2-[(2,3-difluorophenyl)methoxy]-3-methylphenyl]propan-2-amine
CID 115958090
1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 61496605
1-[2-[(4-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]propan-2-amine
CID 114857545
1-[2-[(3-chlorophenyl)methoxy]-3-methylphenyl]propan-2-amine
CID 115958087
1-(bromomethyl)-2-[(2,6-dichlorophenyl)methoxy]-3-methylbenzene
CID 112614167
[3-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methanamine
CID 112607809
1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methylphenyl]propan-2-amine
CID 115958074
1-[3-methyl-2-(1,2-oxazol-5-ylmethoxy)phenyl]propan-2-amine
CID 112615436
1-[2-[(2,4-difluorophenyl)methoxy]-3-fluorophenyl]propan-2-amine
CID 115958685
1-[2-[(2-fluorophenyl)methoxy]-3-methylphenyl]butan-2-amine
CID 115958198
1-[3-methyl-2-(pyridin-2-ylmethoxy)phenyl]propan-2-amine
CID 112615409

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methylphenyl]propan-2-amine?
The IUPAC name of 1-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methylphenyl]propan-2-amine (CID 115958056) is 1-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methylphenyl]propan-2-amine.
What is the SMILES notation for 1-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methylphenyl]propan-2-amine?
The canonical SMILES for 1-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methylphenyl]propan-2-amine is Cc1cccc(CC(C)N)c1OCc1c(F)cccc1Cl.
What is the InChIKey of 1-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methylphenyl]propan-2-amine?
The InChIKey is TUFALDLZYUGBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFNO/c1-11-5-3-6-13(9-12(2)20)17(11)21-10-14-15(18)7-4-8-16(14)19/h3-8,12H,9-10,20H2,1-2H3.
What are the key properties of 1-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methylphenyl]propan-2-amine?
1-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methylphenyl]propan-2-amine has a molecular weight of 307.80 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methylphenyl]propan-2-amine is sourced from PubChem (CID 115958056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).