1-(5-chloro-2-fluorophenyl)-4-methoxypentan-2-amine

C12H17ClFNO — CID 103049075

IUPAC1-(5-chloro-2-fluorophenyl)-4-methoxypentan-2-amine
SMILESCOC(C)CC(N)Cc1cc(Cl)ccc1F
InChIInChI=1S/C12H17ClFNO/c1-8(16-2)5-11(15)7-9-6-10(13)3-4-12(9)14/h3-4,6,8,11H,5,7,15H2,1-2H3
InChIKeyIIHRWDYVTWYYCA-UHFFFAOYSA-N
MW245.73 g/mol
LogP2.77
Rot. Bonds5

About 1-(5-chloro-2-fluorophenyl)-4-methoxypentan-2-amine

1-(5-chloro-2-fluorophenyl)-4-methoxypentan-2-amine (PubChem CID 103049075) has the molecular formula C12H17ClFNO and a molecular weight of 245.73 g/mol. Its IUPAC name is 1-(5-chloro-2-fluorophenyl)-4-methoxypentan-2-amine.

Molecular Properties

Compound Name1-(5-chloro-2-fluorophenyl)-4-methoxypentan-2-amine
PubChem CID103049075
Molecular FormulaC12H17ClFNO
Molecular Weight245.73 g/mol
Exact Mass245.10
IUPAC Name1-(5-chloro-2-fluorophenyl)-4-methoxypentan-2-amine
SMILESCOC(C)CC(N)Cc1cc(Cl)ccc1F
InChIInChI=1S/C12H17ClFNO/c1-8(16-2)5-11(15)7-9-6-10(13)3-4-12(9)14/h3-4,6,8,11H,5,7,15H2,1-2H3
InChIKeyIIHRWDYVTWYYCA-UHFFFAOYSA-N
XLogP2.77
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.73
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3-Chlorophenyl)-4-methoxycyclohexyl]methanamine
CID 71184607
2-(4-Chlorophenyl)-5-methoxypentan-1-amine
CID 79441976
1-(3-Fluorophenyl)-4-methoxy-4-methylpentan-2-amine
CID 103024897
1-(2-Chloro-6-fluorophenyl)-4-methoxy-4-methylpentan-2-amine
CID 103024949
1-(2-chloro-6-fluorophenyl)-4-methoxy-N,4-dimethylpentan-2-amine
CID 103024950
1-(2-chloro-6-fluorophenyl)-N-ethyl-4-methoxy-4-methylpentan-2-amine
CID 103024951
1-(2-chloro-6-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine
CID 103024952
1-(2,4-Difluorophenyl)-4-methoxy-4-methylpentan-2-amine
CID 103025004
[1-(2-Chloro-6-fluorophenyl)-4-methoxy-4-methylpentan-2-yl]hydrazine
CID 103025206
[1-(2-Chloro-3-fluorophenyl)-4-methoxy-4-methylpentan-2-yl]hydrazine
CID 103025467
[1-(4-Chloro-2-fluorophenyl)-4-methoxy-4-methylpentan-2-yl]hydrazine
CID 103025525
[1-(2-Chloro-5-fluorophenyl)-4-methoxy-4-methylpentan-2-yl]hydrazine
CID 103025530

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluorophenyl)-4-methoxypentan-2-amine?
The IUPAC name of 1-(5-chloro-2-fluorophenyl)-4-methoxypentan-2-amine (CID 103049075) is 1-(5-chloro-2-fluorophenyl)-4-methoxypentan-2-amine.
What is the SMILES notation for 1-(5-chloro-2-fluorophenyl)-4-methoxypentan-2-amine?
The canonical SMILES for 1-(5-chloro-2-fluorophenyl)-4-methoxypentan-2-amine is COC(C)CC(N)Cc1cc(Cl)ccc1F.
What is the InChIKey of 1-(5-chloro-2-fluorophenyl)-4-methoxypentan-2-amine?
The InChIKey is IIHRWDYVTWYYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClFNO/c1-8(16-2)5-11(15)7-9-6-10(13)3-4-12(9)14/h3-4,6,8,11H,5,7,15H2,1-2H3.
What are the key properties of 1-(5-chloro-2-fluorophenyl)-4-methoxypentan-2-amine?
1-(5-chloro-2-fluorophenyl)-4-methoxypentan-2-amine has a molecular weight of 245.73 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-fluorophenyl)-4-methoxypentan-2-amine is sourced from PubChem (CID 103049075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).