5-(2,6-difluoro-4-methoxyphenyl)-N-ethyl-3,3-dimethylpentan-1-amine

C16H25F2NO — CID 65304274

IUPAC5-(2,6-difluoro-4-methoxyphenyl)-N-ethyl-3,3-dimethylpentan-1-amine
SMILESCCNCCC(C)(C)CCc1c(F)cc(OC)cc1F
InChIInChI=1S/C16H25F2NO/c1-5-19-9-8-16(2,3)7-6-13-14(17)10-12(20-4)11-15(13)18/h10-11,19H,5-9H2,1-4H3
InChIKeyDARGWXHHHXRODA-UHFFFAOYSA-N
MW285.38 g/mol
LogP3.93
Rot. Bonds8

About 5-(2,6-difluoro-4-methoxyphenyl)-N-ethyl-3,3-dimethylpentan-1-amine

5-(2,6-difluoro-4-methoxyphenyl)-N-ethyl-3,3-dimethylpentan-1-amine (PubChem CID 65304274) has the molecular formula C16H25F2NO and a molecular weight of 285.38 g/mol. Its IUPAC name is 5-(2,6-difluoro-4-methoxyphenyl)-N-ethyl-3,3-dimethylpentan-1-amine.

Molecular Properties

Compound Name5-(2,6-difluoro-4-methoxyphenyl)-N-ethyl-3,3-dimethylpentan-1-amine
PubChem CID65304274
Molecular FormulaC16H25F2NO
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Name5-(2,6-difluoro-4-methoxyphenyl)-N-ethyl-3,3-dimethylpentan-1-amine
SMILESCCNCCC(C)(C)CCc1c(F)cc(OC)cc1F
InChIInChI=1S/C16H25F2NO/c1-5-19-9-8-16(2,3)7-6-13-14(17)10-12(20-4)11-15(13)18/h10-11,19H,5-9H2,1-4H3
InChIKeyDARGWXHHHXRODA-UHFFFAOYSA-N
XLogP3.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(2,6-difluoro-4-methoxyphenyl)-N-ethyl-3,3-dimethylpentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-difluoro-5-methoxy-2-propylbenzene
CID 89112657
5-(5-bromo-4-fluoro-2-methoxyphenyl)-N-ethyl-3,3-dimethylpentan-1-amine
CID 103396878
N-tert-butyl-3,3-dimethyl-5-(2,4,6-trifluorophenyl)pentan-1-amine
CID 65303764
2-(2-chloroethyl)-1,3-difluoro-5-methoxybenzene
CID 53403518
3-(2,6-difluoro-4-methoxyphenyl)-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 79830186
N-ethyl-6-methoxy-3,3,6-trimethylheptan-1-amine
CID 103019881
N-ethyl-4-(2-fluoro-4-methoxyphenyl)butan-1-amine
CID 65303375
4-(5-chloro-2-methoxyphenyl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 81023645
5-(4-fluoro-3,5-dimethylphenyl)-3,3-dimethyl-N-propylpentan-1-amine
CID 65308821
N-(2-methoxyethyl)-3,3-dimethyl-5-(2,4,6-trimethylphenyl)pentan-1-amine
CID 65304715
5-(2-chloro-4-methoxyphenyl)-N-(2-methoxyethyl)-3,3-dimethylpentan-1-amine
CID 65304076
(2,6-difluoro-4-methoxyphenyl)methanol
CID 3736239

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-difluoro-4-methoxyphenyl)-N-ethyl-3,3-dimethylpentan-1-amine?
The IUPAC name of 5-(2,6-difluoro-4-methoxyphenyl)-N-ethyl-3,3-dimethylpentan-1-amine (CID 65304274) is 5-(2,6-difluoro-4-methoxyphenyl)-N-ethyl-3,3-dimethylpentan-1-amine.
What is the SMILES notation for 5-(2,6-difluoro-4-methoxyphenyl)-N-ethyl-3,3-dimethylpentan-1-amine?
The canonical SMILES for 5-(2,6-difluoro-4-methoxyphenyl)-N-ethyl-3,3-dimethylpentan-1-amine is CCNCCC(C)(C)CCc1c(F)cc(OC)cc1F.
What is the InChIKey of 5-(2,6-difluoro-4-methoxyphenyl)-N-ethyl-3,3-dimethylpentan-1-amine?
The InChIKey is DARGWXHHHXRODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F2NO/c1-5-19-9-8-16(2,3)7-6-13-14(17)10-12(20-4)11-15(13)18/h10-11,19H,5-9H2,1-4H3.
What are the key properties of 5-(2,6-difluoro-4-methoxyphenyl)-N-ethyl-3,3-dimethylpentan-1-amine?
5-(2,6-difluoro-4-methoxyphenyl)-N-ethyl-3,3-dimethylpentan-1-amine has a molecular weight of 285.38 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-difluoro-4-methoxyphenyl)-N-ethyl-3,3-dimethylpentan-1-amine is sourced from PubChem (CID 65304274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).