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

C16H25ClFNO — CID 103025074

IUPAC1-(2-chloro-4-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine
SMILESCCCNC(Cc1ccc(F)cc1Cl)CC(C)(C)OC
InChIInChI=1S/C16H25ClFNO/c1-5-8-19-14(11-16(2,3)20-4)9-12-6-7-13(18)10-15(12)17/h6-7,10,14,19H,5,8-9,11H2,1-4H3
InChIKeyHEZBPCPGFZCTIA-UHFFFAOYSA-N
MW301.83 g/mol
LogP4.20
Rot. Bonds8

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

1-(2-chloro-4-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine (PubChem CID 103025074) has the molecular formula C16H25ClFNO and a molecular weight of 301.83 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine
PubChem CID103025074
Molecular FormulaC16H25ClFNO
Molecular Weight301.83 g/mol
Exact Mass301.16
IUPAC Name1-(2-chloro-4-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine
SMILESCCCNC(Cc1ccc(F)cc1Cl)CC(C)(C)OC
InChIInChI=1S/C16H25ClFNO/c1-5-8-19-14(11-16(2,3)20-4)9-12-6-7-13(18)10-15(12)17/h6-7,10,14,19H,5,8-9,11H2,1-4H3
InChIKeyHEZBPCPGFZCTIA-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

1-(2,4-difluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine
CID 103025007
1-(2-chloro-4-fluorophenyl)-N-propylnonan-2-amine
CID 63419904
1-(2-chloro-4-fluorophenyl)-N-propylhex-4-yn-2-amine
CID 63033879
1-(2-chloro-4-fluorophenyl)-5-methyl-N-propylhex-5-en-2-amine
CID 114474615
5-(2-chloro-4-fluorophenyl)-4,4-dimethyl-N-propylpentan-2-amine
CID 64717449
1-(4-bromo-2-chlorophenyl)-N-ethyl-4-methoxy-4-methylpentan-2-amine
CID 103029350
1-(2-chloro-4-fluorophenyl)-N-ethylpentan-2-amine
CID 62602369
N-[2-(2-chloro-4-fluorophenyl)-1-cyclopropylethyl]propan-1-amine
CID 55095503
1-(3-bromo-5-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine
CID 103028595
1,3-bis(2-chloro-4-fluorophenyl)-N-methylpropan-2-amine
CID 63419768
1-(2-chloro-4-fluorophenyl)-3-methoxy-N,3-dimethylbutan-2-amine
CID 79197437
1-(4-chloro-2-fluorophenyl)-4,4,4-trifluoro-N-propylbutan-2-amine
CID 114855376

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine (CID 103025074) is 1-(2-chloro-4-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine is CCCNC(Cc1ccc(F)cc1Cl)CC(C)(C)OC.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine?
The InChIKey is HEZBPCPGFZCTIA-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(18)10-15(12)17/h6-7,10,14,19H,5,8-9,11H2,1-4H3.
What are the key properties of 1-(2-chloro-4-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine?
1-(2-chloro-4-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-(2-chloro-4-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine is sourced from PubChem (CID 103025074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).