N-[2-(4-fluorophenoxy)ethyl]-2-methylpropan-1-amine

C12H18FNO — CID 60685910

IUPACN-[2-(4-fluorophenoxy)ethyl]-2-methylpropan-1-amine
SMILESCC(C)CNCCOc1ccc(F)cc1
InChIInChI=1S/C12H18FNO/c1-10(2)9-14-7-8-15-12-5-3-11(13)4-6-12/h3-6,10,14H,7-9H2,1-2H3
InChIKeyKDGXQDLXCQBWPW-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.45
Rot. Bonds6

About N-[2-(4-fluorophenoxy)ethyl]-2-methylpropan-1-amine

N-[2-(4-fluorophenoxy)ethyl]-2-methylpropan-1-amine (PubChem CID 60685910) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is N-[2-(4-fluorophenoxy)ethyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(4-fluorophenoxy)ethyl]-2-methylpropan-1-amine
PubChem CID60685910
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC NameN-[2-(4-fluorophenoxy)ethyl]-2-methylpropan-1-amine
SMILESCC(C)CNCCOc1ccc(F)cc1
InChIInChI=1S/C12H18FNO/c1-10(2)9-14-7-8-15-12-5-3-11(13)4-6-12/h3-6,10,14H,7-9H2,1-2H3
InChIKeyKDGXQDLXCQBWPW-UHFFFAOYSA-N
XLogP2.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.45
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

2-methyl-N-[3-(4-propoxyphenoxy)propyl]propan-1-amine
CID 62485131
N-[2-(4-chloro-3-fluorophenoxy)ethyl]-2-methylpropan-1-amine
CID 82727666
N-[3-(3,5-difluorophenoxy)propyl]-2-methylpropan-1-amine
CID 62783978
N-[3-(4-bromophenoxy)propyl]-2-methylpropan-1-amine
CID 62455102
N-[2-(5-fluoro-2-methylphenoxy)ethyl]-2-methylpropan-1-amine
CID 102986518
N-ethyl-2-(4-fluorophenoxy)ethanamine;N-methylmethanamine
CID 22368875
(2R)-1-[2-(4-fluorophenoxy)ethoxy]-3-(2-methylpropylamino)propan-2-ol
CID 51895854
N-[2-(3,4-dichlorophenoxy)ethyl]-2-methylpropan-1-amine
CID 62484692
N-[[2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 82423991
N'-(2-methylpropyl)-N-(3-phenoxypropyl)ethane-1,2-diamine
CID 113405493
N-[2-(4-bromo-3-methylphenoxy)ethyl]-2-methylpropan-1-amine
CID 83140093
5-(3,5-difluorophenoxy)-N-(2-methylpropyl)pentan-1-amine
CID 62784161

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenoxy)ethyl]-2-methylpropan-1-amine?
The IUPAC name of N-[2-(4-fluorophenoxy)ethyl]-2-methylpropan-1-amine (CID 60685910) is N-[2-(4-fluorophenoxy)ethyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[2-(4-fluorophenoxy)ethyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[2-(4-fluorophenoxy)ethyl]-2-methylpropan-1-amine is CC(C)CNCCOc1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenoxy)ethyl]-2-methylpropan-1-amine?
The InChIKey is KDGXQDLXCQBWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-10(2)9-14-7-8-15-12-5-3-11(13)4-6-12/h3-6,10,14H,7-9H2,1-2H3.
What are the key properties of N-[2-(4-fluorophenoxy)ethyl]-2-methylpropan-1-amine?
N-[2-(4-fluorophenoxy)ethyl]-2-methylpropan-1-amine has a molecular weight of 211.28 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenoxy)ethyl]-2-methylpropan-1-amine is sourced from PubChem (CID 60685910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).