N-[2-(3,5-difluorophenoxy)ethyl]hexan-1-amine

C14H21F2NO — CID 62783809

IUPACN-[2-(3,5-difluorophenoxy)ethyl]hexan-1-amine
SMILESCCCCCCNCCOc1cc(F)cc(F)c1
InChIInChI=1S/C14H21F2NO/c1-2-3-4-5-6-17-7-8-18-14-10-12(15)9-13(16)11-14/h9-11,17H,2-8H2,1H3
InChIKeyDJQUTJJCLUIYBN-UHFFFAOYSA-N
MW257.32 g/mol
LogP3.51
Rot. Bonds9

About N-[2-(3,5-difluorophenoxy)ethyl]hexan-1-amine

N-[2-(3,5-difluorophenoxy)ethyl]hexan-1-amine (PubChem CID 62783809) has the molecular formula C14H21F2NO and a molecular weight of 257.32 g/mol. Its IUPAC name is N-[2-(3,5-difluorophenoxy)ethyl]hexan-1-amine.

Molecular Properties

Compound NameN-[2-(3,5-difluorophenoxy)ethyl]hexan-1-amine
PubChem CID62783809
Molecular FormulaC14H21F2NO
Molecular Weight257.32 g/mol
Exact Mass257.16
IUPAC NameN-[2-(3,5-difluorophenoxy)ethyl]hexan-1-amine
SMILESCCCCCCNCCOc1cc(F)cc(F)c1
InChIInChI=1S/C14H21F2NO/c1-2-3-4-5-6-17-7-8-18-14-10-12(15)9-13(16)11-14/h9-11,17H,2-8H2,1H3
InChIKeyDJQUTJJCLUIYBN-UHFFFAOYSA-N
XLogP3.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 53.51
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-(3,5-difluorophenoxy)ethyl]-2-ethoxyethanamine
CID 62784360
5-(3,5-difluorophenoxy)-N-(2-methylpropyl)pentan-1-amine
CID 62784161
N-[3-(3,5-difluorophenoxy)propyl]-2-methylpropan-1-amine
CID 62783978
N-[2-(3-chloro-4-fluorophenoxy)ethyl]pentan-1-amine
CID 55092971
N-[2-(3,5-dimethoxyphenoxy)ethyl]butan-1-amine
CID 62597582
N-[2-(4-ethylphenoxy)ethyl]hexan-1-amine
CID 55195709
5-(3-fluorophenoxy)-N-propylpentan-1-amine
CID 62459048
N-[2-(3-methylphenoxy)ethyl]heptan-1-amine
CID 54797484
3-(3-bromo-5-fluorophenoxy)-N-ethylpropan-1-amine
CID 81331914
N-(3-naphthalen-2-yloxypropyl)dodecan-1-amine
CID 10451764
N-[3-(3-methylphenoxy)propyl]hexan-1-amine
CID 82097595
1-bromo-3-fluoro-5-pentoxybenzene
CID 79015676

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-difluorophenoxy)ethyl]hexan-1-amine?
The IUPAC name of N-[2-(3,5-difluorophenoxy)ethyl]hexan-1-amine (CID 62783809) is N-[2-(3,5-difluorophenoxy)ethyl]hexan-1-amine.
What is the SMILES notation for N-[2-(3,5-difluorophenoxy)ethyl]hexan-1-amine?
The canonical SMILES for N-[2-(3,5-difluorophenoxy)ethyl]hexan-1-amine is CCCCCCNCCOc1cc(F)cc(F)c1.
What is the InChIKey of N-[2-(3,5-difluorophenoxy)ethyl]hexan-1-amine?
The InChIKey is DJQUTJJCLUIYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO/c1-2-3-4-5-6-17-7-8-18-14-10-12(15)9-13(16)11-14/h9-11,17H,2-8H2,1H3.
What are the key properties of N-[2-(3,5-difluorophenoxy)ethyl]hexan-1-amine?
N-[2-(3,5-difluorophenoxy)ethyl]hexan-1-amine has a molecular weight of 257.32 g/mol, XLogP of 3.51, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-difluorophenoxy)ethyl]hexan-1-amine is sourced from PubChem (CID 62783809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).