N-(dicyclopropylmethyl)-2-(3,5-difluorophenoxy)ethanamine

C15H19F2NO — CID 55112761

IUPACN-(dicyclopropylmethyl)-2-(3,5-difluorophenoxy)ethanamine
SMILESFc1cc(F)cc(OCCNC(C2CC2)C2CC2)c1
InChIInChI=1S/C15H19F2NO/c16-12-7-13(17)9-14(8-12)19-6-5-18-15(10-1-2-10)11-3-4-11/h7-11,15,18H,1-6H2
InChIKeyPEAYDYHLMCDHTD-UHFFFAOYSA-N
MW267.32 g/mol
LogP3.12
Rot. Bonds7

About N-(dicyclopropylmethyl)-2-(3,5-difluorophenoxy)ethanamine

N-(dicyclopropylmethyl)-2-(3,5-difluorophenoxy)ethanamine (PubChem CID 55112761) has the molecular formula C15H19F2NO and a molecular weight of 267.32 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-2-(3,5-difluorophenoxy)ethanamine.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-2-(3,5-difluorophenoxy)ethanamine
PubChem CID55112761
Molecular FormulaC15H19F2NO
Molecular Weight267.32 g/mol
Exact Mass267.14
IUPAC NameN-(dicyclopropylmethyl)-2-(3,5-difluorophenoxy)ethanamine
SMILESFc1cc(F)cc(OCCNC(C2CC2)C2CC2)c1
InChIInChI=1S/C15H19F2NO/c16-12-7-13(17)9-14(8-12)19-6-5-18-15(10-1-2-10)11-3-4-11/h7-11,15,18H,1-6H2
InChIKeyPEAYDYHLMCDHTD-UHFFFAOYSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 53.12
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-(dicyclopropylmethyl)-2-(3-fluoro-4-methylphenoxy)ethanamine
CID 107170975
N-(dicyclopropylmethyl)-2-(2,5-difluorophenoxy)ethanamine
CID 63273198
2-(3-bromophenoxy)-N-(dicyclopropylmethyl)ethanamine
CID 55024241
N-(dicyclopropylmethyl)-2-(3-ethoxyphenoxy)ethanamine
CID 62583433
N-[2-(3,5-difluorophenoxy)ethyl]-4-methylcyclohexan-1-amine
CID 62784905
N-[2-(3,5-difluorophenoxy)ethyl]-4-fluoroaniline
CID 62785083
1-cyclopropyl-N-[2-(3,5-dichlorophenoxy)ethyl]ethanamine
CID 62585284
N-[3-(3,5-difluorophenoxy)propyl]-2-methylpropan-1-amine
CID 62783978
N-(dicyclopropylmethyl)-2-[(2-fluorophenyl)methoxy]ethanamine
CID 63937397
N-[2-(3-bromo-5-fluorophenoxy)ethyl]cycloheptanamine
CID 81326014
N-[2-(3,5-difluorophenoxy)ethyl]-2-ethoxyethanamine
CID 62784360
2-(4-bromo-2-chloro-6-methylphenoxy)-N-(dicyclopropylmethyl)ethanamine
CID 63515400

Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-2-(3,5-difluorophenoxy)ethanamine?
The IUPAC name of N-(dicyclopropylmethyl)-2-(3,5-difluorophenoxy)ethanamine (CID 55112761) is N-(dicyclopropylmethyl)-2-(3,5-difluorophenoxy)ethanamine.
What is the SMILES notation for N-(dicyclopropylmethyl)-2-(3,5-difluorophenoxy)ethanamine?
The canonical SMILES for N-(dicyclopropylmethyl)-2-(3,5-difluorophenoxy)ethanamine is Fc1cc(F)cc(OCCNC(C2CC2)C2CC2)c1.
What is the InChIKey of N-(dicyclopropylmethyl)-2-(3,5-difluorophenoxy)ethanamine?
The InChIKey is PEAYDYHLMCDHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO/c16-12-7-13(17)9-14(8-12)19-6-5-18-15(10-1-2-10)11-3-4-11/h7-11,15,18H,1-6H2.
What are the key properties of N-(dicyclopropylmethyl)-2-(3,5-difluorophenoxy)ethanamine?
N-(dicyclopropylmethyl)-2-(3,5-difluorophenoxy)ethanamine has a molecular weight of 267.32 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-2-(3,5-difluorophenoxy)ethanamine is sourced from PubChem (CID 55112761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).