(1S)-1-(3,4,5-trifluorophenyl)propan-1-amine

C9H10F3N — CID 55255857

IUPAC(1S)-1-(3,4,5-trifluorophenyl)propan-1-amine
SMILESCC[C@H](N)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C9H10F3N/c1-2-8(13)5-3-6(10)9(12)7(11)4-5/h3-4,8H,2,13H2,1H3/t8-/m0/s1
InChIKeyIOABMNGPNFPERE-QMMMGPOBSA-N
MW189.18 g/mol
LogP2.51
Rot. Bonds2

About (1S)-1-(3,4,5-trifluorophenyl)propan-1-amine

(1S)-1-(3,4,5-trifluorophenyl)propan-1-amine (PubChem CID 55255857) has the molecular formula C9H10F3N and a molecular weight of 189.18 g/mol. Its IUPAC name is (1S)-1-(3,4,5-trifluorophenyl)propan-1-amine.

Molecular Properties

Compound Name(1S)-1-(3,4,5-trifluorophenyl)propan-1-amine
PubChem CID55255857
Molecular FormulaC9H10F3N
Molecular Weight189.18 g/mol
Exact Mass189.08
IUPAC Name(1S)-1-(3,4,5-trifluorophenyl)propan-1-amine
SMILESCC[C@H](N)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C9H10F3N/c1-2-8(13)5-3-6(10)9(12)7(11)4-5/h3-4,8H,2,13H2,1H3/t8-/m0/s1
InChIKeyIOABMNGPNFPERE-QMMMGPOBSA-N
XLogP2.51
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.18
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(1R)-2-fluoro-1-(3,4,5-trifluorophenyl)ethanamine
CID 124707183
(1R)-1-(3,4,5-trifluorophenyl)hexan-1-amine;hydrochloride
CID 171205823
1-(3,4,5-trifluorophenyl)nonan-1-amine
CID 63417456
1-(3,4,5-trifluorophenyl)ethane-1,2-diamine;dihydrochloride
CID 71758657
(1S)-4-methyl-1-(3,4,5-trifluorophenyl)pentan-1-amine
CID 171225417
(1S)-3-methyl-1-(3,4,5-trifluorophenyl)butan-1-amine;hydrochloride
CID 171225399
(2R)-2-amino-2-(3,4,5-trifluorophenyl)ethanol;hydrochloride
CID 171225420
1-[4-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]phenyl]propan-1-amine
CID 126539551
(1S)-1-(3,4,5-trifluorophenyl)butane-1,4-diamine;hydrochloride
CID 171225390
1-(3-fluoro-5-methylphenyl)propan-1-amine
CID 55282781
ethyl (3S)-3-amino-3-(3,4,5-trifluorophenyl)propanoate
CID 78924028
1-[3,5-difluoro-4-[[4-(3,4,5-trifluorophenyl)cyclohexyl]methoxy]phenyl]propan-1-amine
CID 130203765

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3,4,5-trifluorophenyl)propan-1-amine?
The IUPAC name of (1S)-1-(3,4,5-trifluorophenyl)propan-1-amine (CID 55255857) is (1S)-1-(3,4,5-trifluorophenyl)propan-1-amine.
What is the SMILES notation for (1S)-1-(3,4,5-trifluorophenyl)propan-1-amine?
The canonical SMILES for (1S)-1-(3,4,5-trifluorophenyl)propan-1-amine is CC[C@H](N)c1cc(F)c(F)c(F)c1.
What is the InChIKey of (1S)-1-(3,4,5-trifluorophenyl)propan-1-amine?
The InChIKey is IOABMNGPNFPERE-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H10F3N/c1-2-8(13)5-3-6(10)9(12)7(11)4-5/h3-4,8H,2,13H2,1H3/t8-/m0/s1.
What are the key properties of (1S)-1-(3,4,5-trifluorophenyl)propan-1-amine?
(1S)-1-(3,4,5-trifluorophenyl)propan-1-amine has a molecular weight of 189.18 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3,4,5-trifluorophenyl)propan-1-amine is sourced from PubChem (CID 55255857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).