1-(4-chloro-2,5-difluorophenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine

C15H22ClF2NO — CID 103031270

IUPAC1-(4-chloro-2,5-difluorophenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
SMILESCCNC(CCC(C)(C)OC)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C15H22ClF2NO/c1-5-19-14(6-7-15(2,3)20-4)10-8-13(18)11(16)9-12(10)17/h8-9,14,19H,5-7H2,1-4H3
InChIKeyUYKDSFQMJMDTNS-UHFFFAOYSA-N
MW305.80 g/mol
LogP4.47
Rot. Bonds7

About 1-(4-chloro-2,5-difluorophenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine

1-(4-chloro-2,5-difluorophenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine (PubChem CID 103031270) has the molecular formula C15H22ClF2NO and a molecular weight of 305.80 g/mol. Its IUPAC name is 1-(4-chloro-2,5-difluorophenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine.

Molecular Properties

Compound Name1-(4-chloro-2,5-difluorophenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
PubChem CID103031270
Molecular FormulaC15H22ClF2NO
Molecular Weight305.80 g/mol
Exact Mass305.14
IUPAC Name1-(4-chloro-2,5-difluorophenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
SMILESCCNC(CCC(C)(C)OC)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C15H22ClF2NO/c1-5-19-14(6-7-15(2,3)20-4)10-8-13(18)11(16)9-12(10)17/h8-9,14,19H,5-7H2,1-4H3
InChIKeyUYKDSFQMJMDTNS-UHFFFAOYSA-N
XLogP4.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.80
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,5-difluorophenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine?
The IUPAC name of 1-(4-chloro-2,5-difluorophenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine (CID 103031270) is 1-(4-chloro-2,5-difluorophenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine.
What is the SMILES notation for 1-(4-chloro-2,5-difluorophenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine?
The canonical SMILES for 1-(4-chloro-2,5-difluorophenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine is CCNC(CCC(C)(C)OC)c1cc(F)c(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2,5-difluorophenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine?
The InChIKey is UYKDSFQMJMDTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClF2NO/c1-5-19-14(6-7-15(2,3)20-4)10-8-13(18)11(16)9-12(10)17/h8-9,14,19H,5-7H2,1-4H3.
What are the key properties of 1-(4-chloro-2,5-difluorophenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine?
1-(4-chloro-2,5-difluorophenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine has a molecular weight of 305.80 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2,5-difluorophenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine is sourced from PubChem (CID 103031270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).