6-[[2-(trifluoromethoxy)phenyl]methylamino]hexan-1-ol

C14H20F3NO2 — CID 103924217

IUPAC6-[[2-(trifluoromethoxy)phenyl]methylamino]hexan-1-ol
SMILESOCCCCCCNCc1ccccc1OC(F)(F)F
InChIInChI=1S/C14H20F3NO2/c15-14(16,17)20-13-8-4-3-7-12(13)11-18-9-5-1-2-6-10-19/h3-4,7-8,18-19H,1-2,5-6,9-11H2
InChIKeySMZPFVYVJACZSO-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.23
Rot. Bonds9

About 6-[[2-(trifluoromethoxy)phenyl]methylamino]hexan-1-ol

6-[[2-(trifluoromethoxy)phenyl]methylamino]hexan-1-ol (PubChem CID 103924217) has the molecular formula C14H20F3NO2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 6-[[2-(trifluoromethoxy)phenyl]methylamino]hexan-1-ol.

Molecular Properties

Compound Name6-[[2-(trifluoromethoxy)phenyl]methylamino]hexan-1-ol
PubChem CID103924217
Molecular FormulaC14H20F3NO2
Molecular Weight291.31 g/mol
Exact Mass291.14
IUPAC Name6-[[2-(trifluoromethoxy)phenyl]methylamino]hexan-1-ol
SMILESOCCCCCCNCc1ccccc1OC(F)(F)F
InChIInChI=1S/C14H20F3NO2/c15-14(16,17)20-13-8-4-3-7-12(13)11-18-9-5-1-2-6-10-19/h3-4,7-8,18-19H,1-2,5-6,9-11H2
InChIKeySMZPFVYVJACZSO-UHFFFAOYSA-N
XLogP3.23
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(trifluoromethoxy)phenyl]methyl]octan-1-amine
CID 115566606
1-[2-(trifluoromethoxy)phenyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
CID 112803590
4-methylsulfanyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butan-1-amine
CID 115639279
6-[[2-(trifluoromethyl)phenyl]methylamino]hexan-1-ol
CID 22006356
3-cyclopentyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine
CID 106008246
3-propan-2-yloxy-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine
CID 28726645
N',N'-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]ethane-1,2-diamine
CID 16775609
2-[(6-hydroxyhexylamino)methyl]phenol
CID 82678109
3-(cyclopropylmethoxy)-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine
CID 29298732
N-[[2-(trifluoromethoxy)phenyl]methyl]hydroxylamine
CID 82684299
3-[[2-(trifluoromethoxy)phenyl]methylamino]propane-1,2-diol
CID 60703872
(E)-N-[[2-(trifluoromethoxy)phenyl]methyl]pent-3-en-1-amine
CID 115629021

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(trifluoromethoxy)phenyl]methylamino]hexan-1-ol?
The IUPAC name of 6-[[2-(trifluoromethoxy)phenyl]methylamino]hexan-1-ol (CID 103924217) is 6-[[2-(trifluoromethoxy)phenyl]methylamino]hexan-1-ol.
What is the SMILES notation for 6-[[2-(trifluoromethoxy)phenyl]methylamino]hexan-1-ol?
The canonical SMILES for 6-[[2-(trifluoromethoxy)phenyl]methylamino]hexan-1-ol is OCCCCCCNCc1ccccc1OC(F)(F)F.
What is the InChIKey of 6-[[2-(trifluoromethoxy)phenyl]methylamino]hexan-1-ol?
The InChIKey is SMZPFVYVJACZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO2/c15-14(16,17)20-13-8-4-3-7-12(13)11-18-9-5-1-2-6-10-19/h3-4,7-8,18-19H,1-2,5-6,9-11H2.
What are the key properties of 6-[[2-(trifluoromethoxy)phenyl]methylamino]hexan-1-ol?
6-[[2-(trifluoromethoxy)phenyl]methylamino]hexan-1-ol has a molecular weight of 291.31 g/mol, XLogP of 3.23, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(trifluoromethoxy)phenyl]methylamino]hexan-1-ol is sourced from PubChem (CID 103924217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).