3-[[2-amino-1-[4-(trifluoromethyl)phenyl]ethyl]amino]propan-1-ol

C12H17F3N2O — CID 65376991

IUPAC3-[[2-amino-1-[4-(trifluoromethyl)phenyl]ethyl]amino]propan-1-ol
SMILESNCC(NCCCO)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H17F3N2O/c13-12(14,15)10-4-2-9(3-5-10)11(8-16)17-6-1-7-18/h2-5,11,17-18H,1,6-8,16H2
InChIKeyPSAXGVXDFHTFQP-UHFFFAOYSA-N
MW262.27 g/mol
LogP1.68
Rot. Bonds6

About 3-[[2-amino-1-[4-(trifluoromethyl)phenyl]ethyl]amino]propan-1-ol

3-[[2-amino-1-[4-(trifluoromethyl)phenyl]ethyl]amino]propan-1-ol (PubChem CID 65376991) has the molecular formula C12H17F3N2O and a molecular weight of 262.27 g/mol. Its IUPAC name is 3-[[2-amino-1-[4-(trifluoromethyl)phenyl]ethyl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[2-amino-1-[4-(trifluoromethyl)phenyl]ethyl]amino]propan-1-ol
PubChem CID65376991
Molecular FormulaC12H17F3N2O
Molecular Weight262.27 g/mol
Exact Mass262.13
IUPAC Name3-[[2-amino-1-[4-(trifluoromethyl)phenyl]ethyl]amino]propan-1-ol
SMILESNCC(NCCCO)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H17F3N2O/c13-12(14,15)10-4-2-9(3-5-10)11(8-16)17-6-1-7-18/h2-5,11,17-18H,1,6-8,16H2
InChIKeyPSAXGVXDFHTFQP-UHFFFAOYSA-N
XLogP1.68
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-amino-1-(4-phenylphenyl)ethyl]amino]propan-1-ol
CID 65377405
N-pent-3-ynyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 116643484
3-[[2-amino-1-[2-(trifluoromethyl)phenyl]ethyl]amino]propan-1-ol
CID 65378871
N-(cyclopropylmethyl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 65385455
5-[[2-amino-1-[4-(dimethylamino)phenyl]ethyl]amino]pentan-1-ol
CID 107317121
N-(3-methylphenyl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 65377988
N-(3-bromophenyl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 65378734
3-amino-2-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 63215999
1-(4-tert-butylphenyl)-N-propylethane-1,2-diamine
CID 62066764
5-[[2-amino-1-(3,4-dichlorophenyl)ethyl]amino]pentan-1-ol
CID 107316920
N-propyl-1-[4-(trifluoromethyl)phenyl]hexan-1-amine
CID 115837166
3-[[2-amino-1-(2,4-difluorophenyl)ethyl]amino]propan-1-ol
CID 65378664

Frequently Asked Questions

What is the IUPAC name of 3-[[2-amino-1-[4-(trifluoromethyl)phenyl]ethyl]amino]propan-1-ol?
The IUPAC name of 3-[[2-amino-1-[4-(trifluoromethyl)phenyl]ethyl]amino]propan-1-ol (CID 65376991) is 3-[[2-amino-1-[4-(trifluoromethyl)phenyl]ethyl]amino]propan-1-ol.
What is the SMILES notation for 3-[[2-amino-1-[4-(trifluoromethyl)phenyl]ethyl]amino]propan-1-ol?
The canonical SMILES for 3-[[2-amino-1-[4-(trifluoromethyl)phenyl]ethyl]amino]propan-1-ol is NCC(NCCCO)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-[[2-amino-1-[4-(trifluoromethyl)phenyl]ethyl]amino]propan-1-ol?
The InChIKey is PSAXGVXDFHTFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O/c13-12(14,15)10-4-2-9(3-5-10)11(8-16)17-6-1-7-18/h2-5,11,17-18H,1,6-8,16H2.
What are the key properties of 3-[[2-amino-1-[4-(trifluoromethyl)phenyl]ethyl]amino]propan-1-ol?
3-[[2-amino-1-[4-(trifluoromethyl)phenyl]ethyl]amino]propan-1-ol has a molecular weight of 262.27 g/mol, XLogP of 1.68, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-amino-1-[4-(trifluoromethyl)phenyl]ethyl]amino]propan-1-ol is sourced from PubChem (CID 65376991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).