N-[2-(3-fluorophenyl)-2-hexoxyethyl]-2-methylpropan-2-amine

C18H30FNO — CID 63475905

IUPACN-[2-(3-fluorophenyl)-2-hexoxyethyl]-2-methylpropan-2-amine
SMILESCCCCCCOC(CNC(C)(C)C)c1cccc(F)c1
InChIInChI=1S/C18H30FNO/c1-5-6-7-8-12-21-17(14-20-18(2,3)4)15-10-9-11-16(19)13-15/h9-11,13,17,20H,5-8,12,14H2,1-4H3
InChIKeyLQCKVIOYBYYNJH-UHFFFAOYSA-N
MW295.44 g/mol
LogP4.85
Rot. Bonds9

About N-[2-(3-fluorophenyl)-2-hexoxyethyl]-2-methylpropan-2-amine

N-[2-(3-fluorophenyl)-2-hexoxyethyl]-2-methylpropan-2-amine (PubChem CID 63475905) has the molecular formula C18H30FNO and a molecular weight of 295.44 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)-2-hexoxyethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)-2-hexoxyethyl]-2-methylpropan-2-amine
PubChem CID63475905
Molecular FormulaC18H30FNO
Molecular Weight295.44 g/mol
Exact Mass295.23
IUPAC NameN-[2-(3-fluorophenyl)-2-hexoxyethyl]-2-methylpropan-2-amine
SMILESCCCCCCOC(CNC(C)(C)C)c1cccc(F)c1
InChIInChI=1S/C18H30FNO/c1-5-6-7-8-12-21-17(14-20-18(2,3)4)15-10-9-11-16(19)13-15/h9-11,13,17,20H,5-8,12,14H2,1-4H3
InChIKeyLQCKVIOYBYYNJH-UHFFFAOYSA-N
XLogP4.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.44
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-fluorophenyl)-2-(2-propan-2-yloxyethoxy)ethyl]-2-methylpropan-2-amine
CID 62108475
N-[2-(4-bromophenyl)-2-pentoxyethyl]-2-methylpropan-2-amine
CID 63475206
N-[2-(2-fluorophenyl)-2-pentoxyethyl]-2-methylpropan-2-amine
CID 62109223
1-(3-fluorophenyl)-1-octoxypropan-2-amine
CID 63459739
N-[2-(4-fluorophenyl)-2-(3-methoxypropoxy)ethyl]-2-methylpropan-2-amine
CID 62107518
N-[2-(3-bromophenyl)-2-(4-methylpentoxy)ethyl]-2-methylpropan-2-amine
CID 63474821
(1R)-2-(tert-butylamino)-1-(3-fluorophenyl)ethanol
CID 67354588
2-hexoxy-N-methyl-2-phenylethanamine
CID 55036294
2-hexoxy-2-(3-methoxyphenyl)-N-methylethanamine
CID 55036389
2-(3-chlorophenyl)-N-ethyl-2-octoxyethanamine
CID 63474835
N-[2-(2-ethoxyethoxy)-2-phenylethyl]-2-methylpropan-2-amine
CID 62108265
N-[2-(3-bromophenyl)-2-(3,3,3-trifluoropropoxy)ethyl]-2-methylpropan-2-amine
CID 82962979

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)-2-hexoxyethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-(3-fluorophenyl)-2-hexoxyethyl]-2-methylpropan-2-amine (CID 63475905) is N-[2-(3-fluorophenyl)-2-hexoxyethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-(3-fluorophenyl)-2-hexoxyethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-(3-fluorophenyl)-2-hexoxyethyl]-2-methylpropan-2-amine is CCCCCCOC(CNC(C)(C)C)c1cccc(F)c1.
What is the InChIKey of N-[2-(3-fluorophenyl)-2-hexoxyethyl]-2-methylpropan-2-amine?
The InChIKey is LQCKVIOYBYYNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30FNO/c1-5-6-7-8-12-21-17(14-20-18(2,3)4)15-10-9-11-16(19)13-15/h9-11,13,17,20H,5-8,12,14H2,1-4H3.
What are the key properties of N-[2-(3-fluorophenyl)-2-hexoxyethyl]-2-methylpropan-2-amine?
N-[2-(3-fluorophenyl)-2-hexoxyethyl]-2-methylpropan-2-amine has a molecular weight of 295.44 g/mol, XLogP of 4.85, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)-2-hexoxyethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63475905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).