N-(dicyclopropylmethyl)-2-[(2-fluorophenyl)methoxy]ethanamine

C16H22FNO — CID 63937397

IUPACN-(dicyclopropylmethyl)-2-[(2-fluorophenyl)methoxy]ethanamine
SMILESFc1ccccc1COCCNC(C1CC1)C1CC1
InChIInChI=1S/C16H22FNO/c17-15-4-2-1-3-14(15)11-19-10-9-18-16(12-5-6-12)13-7-8-13/h1-4,12-13,16,18H,5-11H2
InChIKeyJWIWALFMXOIACI-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.12
Rot. Bonds8

About N-(dicyclopropylmethyl)-2-[(2-fluorophenyl)methoxy]ethanamine

N-(dicyclopropylmethyl)-2-[(2-fluorophenyl)methoxy]ethanamine (PubChem CID 63937397) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-2-[(2-fluorophenyl)methoxy]ethanamine.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-2-[(2-fluorophenyl)methoxy]ethanamine
PubChem CID63937397
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC NameN-(dicyclopropylmethyl)-2-[(2-fluorophenyl)methoxy]ethanamine
SMILESFc1ccccc1COCCNC(C1CC1)C1CC1
InChIInChI=1S/C16H22FNO/c17-15-4-2-1-3-14(15)11-19-10-9-18-16(12-5-6-12)13-7-8-13/h1-4,12-13,16,18H,5-11H2
InChIKeyJWIWALFMXOIACI-UHFFFAOYSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
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-[2-[(2-fluorophenyl)methoxy]ethyl]pentan-3-amine
CID 63937396
N-[4-[(2-fluorophenyl)methoxy]butyl]cyclopropanamine
CID 63935145
N-[2-[(2-fluorophenyl)methoxy]ethyl]-2-methylcyclohexan-1-amine
CID 63934955
1-fluoro-2-[(2-fluorophenyl)methoxymethyl]benzene
CID 67509440
N-benzyl-2-[(2-fluorophenyl)methoxy]ethanamine
CID 63936379
3-[(2-fluorophenyl)methoxy]propan-1-ol
CID 23325115
N-ethyl-5-[(2-fluorophenyl)methoxy]pentan-2-amine
CID 63935925
1-fluoro-2-(3-methylbutoxymethyl)benzene
CID 91704397
1-cyclohexyl-N-ethyl-2-[(2-fluorophenyl)methoxy]ethanamine
CID 104749468
1-cyclohexyl-2-[(2-fluorophenyl)methoxy]ethanol
CID 104753717
4-[2-[(2-fluorophenyl)methoxy]ethyl]piperidine;hydrochloride
CID 56829895
N-(dicyclopropylmethyl)-2-(3-fluoro-4-methylphenoxy)ethanamine
CID 107170975

Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-2-[(2-fluorophenyl)methoxy]ethanamine?
The IUPAC name of N-(dicyclopropylmethyl)-2-[(2-fluorophenyl)methoxy]ethanamine (CID 63937397) is N-(dicyclopropylmethyl)-2-[(2-fluorophenyl)methoxy]ethanamine.
What is the SMILES notation for N-(dicyclopropylmethyl)-2-[(2-fluorophenyl)methoxy]ethanamine?
The canonical SMILES for N-(dicyclopropylmethyl)-2-[(2-fluorophenyl)methoxy]ethanamine is Fc1ccccc1COCCNC(C1CC1)C1CC1.
What is the InChIKey of N-(dicyclopropylmethyl)-2-[(2-fluorophenyl)methoxy]ethanamine?
The InChIKey is JWIWALFMXOIACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c17-15-4-2-1-3-14(15)11-19-10-9-18-16(12-5-6-12)13-7-8-13/h1-4,12-13,16,18H,5-11H2.
What are the key properties of N-(dicyclopropylmethyl)-2-[(2-fluorophenyl)methoxy]ethanamine?
N-(dicyclopropylmethyl)-2-[(2-fluorophenyl)methoxy]ethanamine has a molecular weight of 263.36 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-2-[(2-fluorophenyl)methoxy]ethanamine is sourced from PubChem (CID 63937397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).