2-(heptan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol

C16H24F3NO — CID 60980974

IUPAC2-(heptan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
SMILESCCCCCC(C)NCC(O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H24F3NO/c1-3-4-5-7-12(2)20-11-15(21)13-8-6-9-14(10-13)16(17,18)19/h6,8-10,12,15,20-21H,3-5,7,11H2,1-2H3
InChIKeyGCBPADLTSXBNRX-UHFFFAOYSA-N
MW303.37 g/mol
LogP4.30
Rot. Bonds8

About 2-(heptan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol

2-(heptan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol (PubChem CID 60980974) has the molecular formula C16H24F3NO and a molecular weight of 303.37 g/mol. Its IUPAC name is 2-(heptan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-(heptan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
PubChem CID60980974
Molecular FormulaC16H24F3NO
Molecular Weight303.37 g/mol
Exact Mass303.18
IUPAC Name2-(heptan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
SMILESCCCCCC(C)NCC(O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H24F3NO/c1-3-4-5-7-12(2)20-11-15(21)13-8-6-9-14(10-13)16(17,18)19/h6,8-10,12,15,20-21H,3-5,7,11H2,1-2H3
InChIKeyGCBPADLTSXBNRX-UHFFFAOYSA-N
XLogP4.30
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(propan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 60903667
1-(3-bromophenyl)-2-(heptan-2-ylamino)ethanol
CID 60734300
2-(1-methoxypropan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 60897467
2-(nonan-2-ylamino)-1-phenylethanol
CID 43499169
4-[2-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]propyl]phenol
CID 70485756
2-[1-[4-(aminomethyl)phenyl]propan-2-ylamino]-1-[3-(trifluoromethyl)phenyl]ethanol
CID 70554567
1-heptan-2-yl-3-[1-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 175464376
1-(3,4-difluorophenyl)-2-(heptan-2-ylamino)ethanol
CID 60980975
1-(3-bromophenyl)-2-(hexan-2-ylamino)ethanol
CID 55050060
(1R)-1-[3-(trifluoromethyl)phenyl]hexan-1-amine;hydrochloride
CID 171206800
4-[(3R)-3-[[(2S)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]butyl]benzamide
CID 70430543
4-[(3R)-3-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]butyl]benzamide
CID 70430540

Frequently Asked Questions

What is the IUPAC name of 2-(heptan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-(heptan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol (CID 60980974) is 2-(heptan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-(heptan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-(heptan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol is CCCCCC(C)NCC(O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(heptan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol?
The InChIKey is GCBPADLTSXBNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3NO/c1-3-4-5-7-12(2)20-11-15(21)13-8-6-9-14(10-13)16(17,18)19/h6,8-10,12,15,20-21H,3-5,7,11H2,1-2H3.
What are the key properties of 2-(heptan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol?
2-(heptan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol has a molecular weight of 303.37 g/mol, XLogP of 4.30, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(heptan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 60980974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).