N-[2-[2-(4-fluoro-3,5-dimethylphenyl)ethoxy]ethyl]-2-methylpropan-2-amine

C16H26FNO — CID 65304697

IUPACN-[2-[2-(4-fluoro-3,5-dimethylphenyl)ethoxy]ethyl]-2-methylpropan-2-amine
SMILESCc1cc(CCOCCNC(C)(C)C)cc(C)c1F
InChIInChI=1S/C16H26FNO/c1-12-10-14(11-13(2)15(12)17)6-8-19-9-7-18-16(3,4)5/h10-11,18H,6-9H2,1-5H3
InChIKeyWGVFFWUSEAXYFG-UHFFFAOYSA-N
MW267.39 g/mol
LogP3.39
Rot. Bonds6

About N-[2-[2-(4-fluoro-3,5-dimethylphenyl)ethoxy]ethyl]-2-methylpropan-2-amine

N-[2-[2-(4-fluoro-3,5-dimethylphenyl)ethoxy]ethyl]-2-methylpropan-2-amine (PubChem CID 65304697) has the molecular formula C16H26FNO and a molecular weight of 267.39 g/mol. Its IUPAC name is N-[2-[2-(4-fluoro-3,5-dimethylphenyl)ethoxy]ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[2-(4-fluoro-3,5-dimethylphenyl)ethoxy]ethyl]-2-methylpropan-2-amine
PubChem CID65304697
Molecular FormulaC16H26FNO
Molecular Weight267.39 g/mol
Exact Mass267.20
IUPAC NameN-[2-[2-(4-fluoro-3,5-dimethylphenyl)ethoxy]ethyl]-2-methylpropan-2-amine
SMILESCc1cc(CCOCCNC(C)(C)C)cc(C)c1F
InChIInChI=1S/C16H26FNO/c1-12-10-14(11-13(2)15(12)17)6-8-19-9-7-18-16(3,4)5/h10-11,18H,6-9H2,1-5H3
InChIKeyWGVFFWUSEAXYFG-UHFFFAOYSA-N
XLogP3.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 53.39
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-[2-(3,5-dimethylthiophen-2-yl)ethoxy]ethyl]-2-methylpropan-2-amine
CID 81158117
N-[2-[2-(3,4-dichlorophenyl)ethoxy]ethyl]-2-methylpropan-2-amine
CID 65302866
2-[2-(4-fluoro-3,5-dimethylphenyl)ethoxy]acetic acid
CID 65296765
2-methyl-N-[2-[2-[4-(2-methylbutan-2-yl)phenyl]ethoxy]ethyl]propan-2-amine
CID 66259222
N-ethyl-2-[2-(4-fluoro-3-methylphenyl)ethoxy]ethanamine
CID 79736426
2-[2-(4-methoxy-3,5-dimethylphenyl)ethoxy]-N-methylethanamine
CID 83068822
O-[2-(4-fluoro-3-methoxy-5-methylphenyl)ethyl]hydroxylamine
CID 117288456
2-chloro-5-[2-[2-(4-chloro-3,5-dimethylphenyl)ethoxy]ethyl]-1,3-dimethylbenzene
CID 142781475
N-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(3-methoxypropoxy)ethanamine
CID 103179199
N-[2-[2-(4-fluorophenoxy)ethoxy]ethyl]-2-methylpropan-2-amine
CID 40539155
N-[2-[3-[2-[2-(tert-butylamino)ethoxy]ethoxy]propoxy]ethyl]-2-methylpropan-2-amine
CID 129102277
N-ethyl-2-[2-(4-methoxy-3-methylphenyl)ethoxy]ethanamine
CID 65303073

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-fluoro-3,5-dimethylphenyl)ethoxy]ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-[2-(4-fluoro-3,5-dimethylphenyl)ethoxy]ethyl]-2-methylpropan-2-amine (CID 65304697) is N-[2-[2-(4-fluoro-3,5-dimethylphenyl)ethoxy]ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-[2-(4-fluoro-3,5-dimethylphenyl)ethoxy]ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-[2-(4-fluoro-3,5-dimethylphenyl)ethoxy]ethyl]-2-methylpropan-2-amine is Cc1cc(CCOCCNC(C)(C)C)cc(C)c1F.
What is the InChIKey of N-[2-[2-(4-fluoro-3,5-dimethylphenyl)ethoxy]ethyl]-2-methylpropan-2-amine?
The InChIKey is WGVFFWUSEAXYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO/c1-12-10-14(11-13(2)15(12)17)6-8-19-9-7-18-16(3,4)5/h10-11,18H,6-9H2,1-5H3.
What are the key properties of N-[2-[2-(4-fluoro-3,5-dimethylphenyl)ethoxy]ethyl]-2-methylpropan-2-amine?
N-[2-[2-(4-fluoro-3,5-dimethylphenyl)ethoxy]ethyl]-2-methylpropan-2-amine has a molecular weight of 267.39 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-fluoro-3,5-dimethylphenyl)ethoxy]ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 65304697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).