4-[2-methoxy-5-(trifluoromethyl)phenyl]pentan-1-amine

C13H18F3NO — CID 83921087

IUPAC4-[2-methoxy-5-(trifluoromethyl)phenyl]pentan-1-amine
SMILESCOc1ccc(C(F)(F)F)cc1C(C)CCCN
InChIInChI=1S/C13H18F3NO/c1-9(4-3-7-17)11-8-10(13(14,15)16)5-6-12(11)18-2/h5-6,8-9H,3-4,7,17H2,1-2H3
InChIKeyPRWANVITHIKDIW-UHFFFAOYSA-N
MW261.29 g/mol
LogP3.56
Rot. Bonds5

About 4-[2-methoxy-5-(trifluoromethyl)phenyl]pentan-1-amine

4-[2-methoxy-5-(trifluoromethyl)phenyl]pentan-1-amine (PubChem CID 83921087) has the molecular formula C13H18F3NO and a molecular weight of 261.29 g/mol. Its IUPAC name is 4-[2-methoxy-5-(trifluoromethyl)phenyl]pentan-1-amine.

Molecular Properties

Compound Name4-[2-methoxy-5-(trifluoromethyl)phenyl]pentan-1-amine
PubChem CID83921087
Molecular FormulaC13H18F3NO
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC Name4-[2-methoxy-5-(trifluoromethyl)phenyl]pentan-1-amine
SMILESCOc1ccc(C(F)(F)F)cc1C(C)CCCN
InChIInChI=1S/C13H18F3NO/c1-9(4-3-7-17)11-8-10(13(14,15)16)5-6-12(11)18-2/h5-6,8-9H,3-4,7,17H2,1-2H3
InChIKeyPRWANVITHIKDIW-UHFFFAOYSA-N
XLogP3.56
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[2-methoxy-5-(trifluoromethyl)phenyl]hexan-2-one
CID 83921024
4-(5-ethyl-2-methoxyphenyl)pentan-1-amine
CID 112512089
2-(difluoromethyl)-1-methoxy-4-(trifluoromethyl)benzene
CID 46311740
4-[2-ethoxy-5-(trifluoromethyl)phenyl]hexan-1-amine
CID 83921157
2-(4-bromo-3-methylbutan-2-yl)-1-methoxy-4-(trifluoromethyl)benzene
CID 83921031
3-[5-(difluoromethyl)-2-methoxyphenyl]butan-1-amine
CID 117330475
(1R)-1-[2-fluoro-5-(trifluoromethyl)phenyl]butane-1,4-diamine
CID 171209518
2,2,2-trifluoro-1-[2-methoxy-5-(trifluoromethyl)phenyl]ethanol
CID 83949728
4-(2-chloro-4,5-dimethoxyphenyl)pentan-1-amine
CID 83943624
(1R)-1-[2-methoxy-4-(trifluoromethyl)phenyl]butan-1-amine
CID 96710105
3-[2-methoxy-5-(trifluoromethyl)phenyl]-3-(methylamino)propan-1-ol
CID 83921064
(1S)-1-(2-methoxyphenyl)butane-1,4-diamine;hydrochloride
CID 171219977

Frequently Asked Questions

What is the IUPAC name of 4-[2-methoxy-5-(trifluoromethyl)phenyl]pentan-1-amine?
The IUPAC name of 4-[2-methoxy-5-(trifluoromethyl)phenyl]pentan-1-amine (CID 83921087) is 4-[2-methoxy-5-(trifluoromethyl)phenyl]pentan-1-amine.
What is the SMILES notation for 4-[2-methoxy-5-(trifluoromethyl)phenyl]pentan-1-amine?
The canonical SMILES for 4-[2-methoxy-5-(trifluoromethyl)phenyl]pentan-1-amine is COc1ccc(C(F)(F)F)cc1C(C)CCCN.
What is the InChIKey of 4-[2-methoxy-5-(trifluoromethyl)phenyl]pentan-1-amine?
The InChIKey is PRWANVITHIKDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO/c1-9(4-3-7-17)11-8-10(13(14,15)16)5-6-12(11)18-2/h5-6,8-9H,3-4,7,17H2,1-2H3.
What are the key properties of 4-[2-methoxy-5-(trifluoromethyl)phenyl]pentan-1-amine?
4-[2-methoxy-5-(trifluoromethyl)phenyl]pentan-1-amine has a molecular weight of 261.29 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methoxy-5-(trifluoromethyl)phenyl]pentan-1-amine is sourced from PubChem (CID 83921087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).