2-amino-6-(3-fluoro-N-methylanilino)-2-methylhexan-1-ol

C14H23FN2O — CID 64791344

IUPAC2-amino-6-(3-fluoro-N-methylanilino)-2-methylhexan-1-ol
SMILESCN(CCCCC(C)(N)CO)c1cccc(F)c1
InChIInChI=1S/C14H23FN2O/c1-14(16,11-18)8-3-4-9-17(2)13-7-5-6-12(15)10-13/h5-7,10,18H,3-4,8-9,11,16H2,1-2H3
InChIKeyGHBSEWBTNKQMHC-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.14
Rot. Bonds7

About 2-amino-6-(3-fluoro-N-methylanilino)-2-methylhexan-1-ol

2-amino-6-(3-fluoro-N-methylanilino)-2-methylhexan-1-ol (PubChem CID 64791344) has the molecular formula C14H23FN2O and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-amino-6-(3-fluoro-N-methylanilino)-2-methylhexan-1-ol.

Molecular Properties

Compound Name2-amino-6-(3-fluoro-N-methylanilino)-2-methylhexan-1-ol
PubChem CID64791344
Molecular FormulaC14H23FN2O
Molecular Weight254.35 g/mol
Exact Mass254.18
IUPAC Name2-amino-6-(3-fluoro-N-methylanilino)-2-methylhexan-1-ol
SMILESCN(CCCCC(C)(N)CO)c1cccc(F)c1
InChIInChI=1S/C14H23FN2O/c1-14(16,11-18)8-3-4-9-17(2)13-7-5-6-12(15)10-13/h5-7,10,18H,3-4,8-9,11,16H2,1-2H3
InChIKeyGHBSEWBTNKQMHC-UHFFFAOYSA-N
XLogP2.14
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.14
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

6-(3-fluoro-N-methylanilino)-2,2-dimethylhexanenitrile
CID 106709977
5-(3-fluoro-N-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063622
5-(3-fluoro-N-methylanilino)pentanehydrazide
CID 63583475
N-ethyl-N'-(3-fluorophenyl)-N'-methylbutane-1,4-diamine
CID 62437244
2-amino-3-(3-fluoro-N-methylanilino)-2-phenylpropan-1-ol
CID 64790753
3-[(5-hydroxy-5-methylhexyl)-methylamino]phenol
CID 57177838
N-(3-fluorophenyl)-N,2,2-trimethylbutane-1,4-diamine
CID 115204355
1-N-(3-fluorophenyl)-1-N-methyl-2-phenylpropane-1,2-diamine
CID 62487752
2-amino-4-(3-fluorophenoxy)-2-methylbutan-1-ol
CID 64804560
2-ethyl-2-(ethylamino)-5-(3-fluoro-N-methylanilino)pentanoic acid
CID 106806123
3-(3-fluoro-N-methylanilino)propanal
CID 63041284
6-(N,3-dimethylanilino)hexan-1-ol
CID 103737894

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(3-fluoro-N-methylanilino)-2-methylhexan-1-ol?
The IUPAC name of 2-amino-6-(3-fluoro-N-methylanilino)-2-methylhexan-1-ol (CID 64791344) is 2-amino-6-(3-fluoro-N-methylanilino)-2-methylhexan-1-ol.
What is the SMILES notation for 2-amino-6-(3-fluoro-N-methylanilino)-2-methylhexan-1-ol?
The canonical SMILES for 2-amino-6-(3-fluoro-N-methylanilino)-2-methylhexan-1-ol is CN(CCCCC(C)(N)CO)c1cccc(F)c1.
What is the InChIKey of 2-amino-6-(3-fluoro-N-methylanilino)-2-methylhexan-1-ol?
The InChIKey is GHBSEWBTNKQMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O/c1-14(16,11-18)8-3-4-9-17(2)13-7-5-6-12(15)10-13/h5-7,10,18H,3-4,8-9,11,16H2,1-2H3.
What are the key properties of 2-amino-6-(3-fluoro-N-methylanilino)-2-methylhexan-1-ol?
2-amino-6-(3-fluoro-N-methylanilino)-2-methylhexan-1-ol has a molecular weight of 254.35 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(3-fluoro-N-methylanilino)-2-methylhexan-1-ol is sourced from PubChem (CID 64791344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).