1-(4-chloro-2-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine

C16H25ClFNO — CID 103029513

IUPAC1-(4-chloro-2-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine
SMILESCCCNC(Cc1ccc(Cl)cc1F)CC(C)(C)OC
InChIInChI=1S/C16H25ClFNO/c1-5-8-19-14(11-16(2,3)20-4)9-12-6-7-13(17)10-15(12)18/h6-7,10,14,19H,5,8-9,11H2,1-4H3
InChIKeyOGKLFEJSOXOUMK-UHFFFAOYSA-N
MW301.83 g/mol
LogP4.20
Rot. Bonds8

About 1-(4-chloro-2-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine

1-(4-chloro-2-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine (PubChem CID 103029513) has the molecular formula C16H25ClFNO and a molecular weight of 301.83 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine
PubChem CID103029513
Molecular FormulaC16H25ClFNO
Molecular Weight301.83 g/mol
Exact Mass301.16
IUPAC Name1-(4-chloro-2-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine
SMILESCCCNC(Cc1ccc(Cl)cc1F)CC(C)(C)OC
InChIInChI=1S/C16H25ClFNO/c1-5-8-19-14(11-16(2,3)20-4)9-12-6-7-13(17)10-15(12)18/h6-7,10,14,19H,5,8-9,11H2,1-4H3
InChIKeyOGKLFEJSOXOUMK-UHFFFAOYSA-N
XLogP4.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.83
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[4-(4-chloro-2-fluorophenyl)cyclohexyl]ethyl]oxan-4-amine
CID 155680915
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-N,4-dimethylpentan-2-amine
CID 103025005
N-ethyl-4-methoxy-4-methyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine
CID 103025037
[1-(4-Chloro-2-fluorophenyl)-4-methoxy-4-methylpentan-2-yl]hydrazine
CID 103025525
1-(4-chloro-2-fluorophenyl)-3-methoxy-N,3-dimethylbutan-1-amine
CID 103028731
1-(4-Chloro-2-fluorophenyl)-3-methoxy-3-methylbutan-1-amine
CID 103028732
1-(4-chloro-2-fluorophenyl)-N-ethyl-3-methoxy-3-methylbutan-1-amine
CID 103028736
1-(4-chloro-2-fluorophenyl)-3-methoxy-3-methyl-N-propylbutan-1-amine
CID 103028737

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine (CID 103029513) is 1-(4-chloro-2-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine is CCCNC(Cc1ccc(Cl)cc1F)CC(C)(C)OC.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine?
The InChIKey is OGKLFEJSOXOUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClFNO/c1-5-8-19-14(11-16(2,3)20-4)9-12-6-7-13(17)10-15(12)18/h6-7,10,14,19H,5,8-9,11H2,1-4H3.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine?
1-(4-chloro-2-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine has a molecular weight of 301.83 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine is sourced from PubChem (CID 103029513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).