(1S)-1-[2-methoxy-5-(trifluoromethoxy)phenyl]pentane-1,5-diamine

C13H19F3N2O2 — CID 171228299

IUPAC(1S)-1-[2-methoxy-5-(trifluoromethoxy)phenyl]pentane-1,5-diamine
SMILESCOc1ccc(OC(F)(F)F)cc1[C@@H](N)CCCCN
InChIInChI=1S/C13H19F3N2O2/c1-19-12-6-5-9(20-13(14,15)16)8-10(12)11(18)4-2-3-7-17/h5-6,8,11H,2-4,7,17-18H2,1H3/t11-/m0/s1
InChIKeyKFYNJACDRQCHTD-NSHDSACASA-N
MW292.30 g/mol
LogP2.72
Rot. Bonds7

About (1S)-1-[2-methoxy-5-(trifluoromethoxy)phenyl]pentane-1,5-diamine

(1S)-1-[2-methoxy-5-(trifluoromethoxy)phenyl]pentane-1,5-diamine (PubChem CID 171228299) has the molecular formula C13H19F3N2O2 and a molecular weight of 292.30 g/mol. Its IUPAC name is (1S)-1-[2-methoxy-5-(trifluoromethoxy)phenyl]pentane-1,5-diamine.

Molecular Properties

Compound Name(1S)-1-[2-methoxy-5-(trifluoromethoxy)phenyl]pentane-1,5-diamine
PubChem CID171228299
Molecular FormulaC13H19F3N2O2
Molecular Weight292.30 g/mol
Exact Mass292.14
IUPAC Name(1S)-1-[2-methoxy-5-(trifluoromethoxy)phenyl]pentane-1,5-diamine
SMILESCOc1ccc(OC(F)(F)F)cc1[C@@H](N)CCCCN
InChIInChI=1S/C13H19F3N2O2/c1-19-12-6-5-9(20-13(14,15)16)8-10(12)11(18)4-2-3-7-17/h5-6,8,11H,2-4,7,17-18H2,1H3/t11-/m0/s1
InChIKeyKFYNJACDRQCHTD-NSHDSACASA-N
XLogP2.72
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1S)-1-[2-methoxy-5-(trifluoromethoxy)phenyl]pentane-1,5-diamine 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

(1R)-1-[2-methoxy-4-(trifluoromethoxy)phenyl]pentane-1,5-diamine;hydrochloride
CID 171216555
(1S)-1-[2-methoxy-4-(trifluoromethoxy)phenyl]pentane-1,5-diamine;hydrochloride
CID 171236189
(2R)-2-amino-2-[2-methoxy-5-(trifluoromethoxy)phenyl]ethanol
CID 66515505
(1R)-1-[2-methoxy-4-(trifluoromethoxy)phenyl]propane-1,3-diamine;hydrochloride
CID 171216551
(1S)-1-(5-fluoro-2-methoxyphenyl)pentane-1,5-diamine
CID 171224932
(1R)-1-[2-methoxy-5-(trifluoromethoxy)phenyl]ethanamine;hydrochloride
CID 171208716
1-[2,5-bis(trifluoromethoxy)phenyl]propan-1-amine
CID 139965810
(1S)-1-(5-bromo-2-methoxyphenyl)pentane-1,5-diamine
CID 171221124
(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]propane-1,3-diamine
CID 171216217
(2S,3S)-3-amino-1,1,1-trifluoro-3-[2-methoxy-5-(trifluoromethoxy)phenyl]propan-2-ol
CID 171269353
(1S)-1-(2-fluoro-3-methoxyphenyl)pentane-1,5-diamine
CID 171225266
(1S)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]butan-1-amine
CID 171235861

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-methoxy-5-(trifluoromethoxy)phenyl]pentane-1,5-diamine?
The IUPAC name of (1S)-1-[2-methoxy-5-(trifluoromethoxy)phenyl]pentane-1,5-diamine (CID 171228299) is (1S)-1-[2-methoxy-5-(trifluoromethoxy)phenyl]pentane-1,5-diamine.
What is the SMILES notation for (1S)-1-[2-methoxy-5-(trifluoromethoxy)phenyl]pentane-1,5-diamine?
The canonical SMILES for (1S)-1-[2-methoxy-5-(trifluoromethoxy)phenyl]pentane-1,5-diamine is COc1ccc(OC(F)(F)F)cc1[C@@H](N)CCCCN.
What is the InChIKey of (1S)-1-[2-methoxy-5-(trifluoromethoxy)phenyl]pentane-1,5-diamine?
The InChIKey is KFYNJACDRQCHTD-NSHDSACASA-N. The full InChI is InChI=1S/C13H19F3N2O2/c1-19-12-6-5-9(20-13(14,15)16)8-10(12)11(18)4-2-3-7-17/h5-6,8,11H,2-4,7,17-18H2,1H3/t11-/m0/s1.
What are the key properties of (1S)-1-[2-methoxy-5-(trifluoromethoxy)phenyl]pentane-1,5-diamine?
(1S)-1-[2-methoxy-5-(trifluoromethoxy)phenyl]pentane-1,5-diamine has a molecular weight of 292.30 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-methoxy-5-(trifluoromethoxy)phenyl]pentane-1,5-diamine is sourced from PubChem (CID 171228299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).