1-(2-chloro-6-fluorophenyl)-2-(3-methoxyphenyl)propan-2-amine

C16H17ClFNO — CID 61496061

IUPAC1-(2-chloro-6-fluorophenyl)-2-(3-methoxyphenyl)propan-2-amine
SMILESCOc1cccc(C(C)(N)Cc2c(F)cccc2Cl)c1
InChIInChI=1S/C16H17ClFNO/c1-16(19,11-5-3-6-12(9-11)20-2)10-13-14(17)7-4-8-15(13)18/h3-9H,10,19H2,1-2H3
InChIKeyHDMJHHGEQIKASJ-UHFFFAOYSA-N
MW293.77 g/mol
LogP3.90
Rot. Bonds4

About 1-(2-chloro-6-fluorophenyl)-2-(3-methoxyphenyl)propan-2-amine

1-(2-chloro-6-fluorophenyl)-2-(3-methoxyphenyl)propan-2-amine (PubChem CID 61496061) has the molecular formula C16H17ClFNO and a molecular weight of 293.77 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-2-(3-methoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-2-(3-methoxyphenyl)propan-2-amine
PubChem CID61496061
Molecular FormulaC16H17ClFNO
Molecular Weight293.77 g/mol
Exact Mass293.10
IUPAC Name1-(2-chloro-6-fluorophenyl)-2-(3-methoxyphenyl)propan-2-amine
SMILESCOc1cccc(C(C)(N)Cc2c(F)cccc2Cl)c1
InChIInChI=1S/C16H17ClFNO/c1-16(19,11-5-3-6-12(9-11)20-2)10-13-14(17)7-4-8-15(13)18/h3-9H,10,19H2,1-2H3
InChIKeyHDMJHHGEQIKASJ-UHFFFAOYSA-N
XLogP3.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-6-fluorophenyl)-2-(2,4-dichloro-5-fluorophenyl)propan-2-amine
CID 63408416
1-(3-bromophenyl)-2-(3-methoxyphenyl)propan-2-amine
CID 60797838
1-(4-chloro-2-fluorophenyl)-2-(3-methoxyphenyl)propan-2-ol
CID 114851769
2-(3-methoxyphenyl)hexan-2-amine
CID 62620704
1-(3,4-difluorophenyl)-1-(3-methoxyphenyl)ethanamine
CID 62802017
(3S)-3-amino-3-(3-methoxyphenyl)butanenitrile
CID 130657362
1-(2-chloro-6-fluorophenyl)-2-phenylpentan-2-amine
CID 63408457
1-(2-chlorophenyl)-2-(3-methoxyphenyl)propan-2-ol
CID 54919291
2-(2-chloro-6-fluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 61079682
1-(3,5-difluorophenyl)-1-(3-methoxyphenyl)ethanamine
CID 62787473
1-(2-chloro-6-fluoro-4-methoxyphenyl)-2-methylpropan-2-amine
CID 84795134
2-(3-methoxyphenyl)-4-methylhexan-2-amine
CID 62622006

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-2-(3-methoxyphenyl)propan-2-amine?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-2-(3-methoxyphenyl)propan-2-amine (CID 61496061) is 1-(2-chloro-6-fluorophenyl)-2-(3-methoxyphenyl)propan-2-amine.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-2-(3-methoxyphenyl)propan-2-amine?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-2-(3-methoxyphenyl)propan-2-amine is COc1cccc(C(C)(N)Cc2c(F)cccc2Cl)c1.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-2-(3-methoxyphenyl)propan-2-amine?
The InChIKey is HDMJHHGEQIKASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO/c1-16(19,11-5-3-6-12(9-11)20-2)10-13-14(17)7-4-8-15(13)18/h3-9H,10,19H2,1-2H3.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-2-(3-methoxyphenyl)propan-2-amine?
1-(2-chloro-6-fluorophenyl)-2-(3-methoxyphenyl)propan-2-amine has a molecular weight of 293.77 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-2-(3-methoxyphenyl)propan-2-amine is sourced from PubChem (CID 61496061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).