N-(dicyclopropylmethyl)-2-(3-fluoro-4-methylphenoxy)ethanamine

C16H22FNO — CID 107170975

IUPACN-(dicyclopropylmethyl)-2-(3-fluoro-4-methylphenoxy)ethanamine
SMILESCc1ccc(OCCNC(C2CC2)C2CC2)cc1F
InChIInChI=1S/C16H22FNO/c1-11-2-7-14(10-15(11)17)19-9-8-18-16(12-3-4-12)13-5-6-13/h2,7,10,12-13,16,18H,3-6,8-9H2,1H3
InChIKeyDNCOVSVEVFJPLC-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.29
Rot. Bonds7

About N-(dicyclopropylmethyl)-2-(3-fluoro-4-methylphenoxy)ethanamine

N-(dicyclopropylmethyl)-2-(3-fluoro-4-methylphenoxy)ethanamine (PubChem CID 107170975) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-2-(3-fluoro-4-methylphenoxy)ethanamine.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-2-(3-fluoro-4-methylphenoxy)ethanamine
PubChem CID107170975
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC NameN-(dicyclopropylmethyl)-2-(3-fluoro-4-methylphenoxy)ethanamine
SMILESCc1ccc(OCCNC(C2CC2)C2CC2)cc1F
InChIInChI=1S/C16H22FNO/c1-11-2-7-14(10-15(11)17)19-9-8-18-16(12-3-4-12)13-5-6-13/h2,7,10,12-13,16,18H,3-6,8-9H2,1H3
InChIKeyDNCOVSVEVFJPLC-UHFFFAOYSA-N
XLogP3.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(dicyclopropylmethyl)-2-(3-fluoro-4-methylphenoxy)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(dicyclopropylmethyl)-2-(3,5-difluorophenoxy)ethanamine
CID 55112761
N-(dicyclopropylmethyl)-2-(3-ethoxyphenoxy)ethanamine
CID 62583433
N-[2-(3-fluoro-4-methylphenoxy)ethyl]cycloheptanamine
CID 107170950
N-(dicyclopropylmethyl)-2-(2,5-difluorophenoxy)ethanamine
CID 63273198
2-(3-bromophenoxy)-N-(dicyclopropylmethyl)ethanamine
CID 55024241
N-[2-(4-bromo-3-methylphenoxy)ethyl]-1-cyclopropylethanamine
CID 83140423
2-fluoro-4-(methoxymethoxy)-1-methylbenzene
CID 54289403
2-fluoro-4-(2-methoxyethoxy)-1-methylbenzene
CID 21363868
2-fluoro-1-methyl-4-(4-methylpentoxy)benzene
CID 107171422
3-(3-fluoro-4-methylphenoxy)propan-1-ol
CID 107170036
2-fluoro-4-(4-methoxybutoxy)-1-methylbenzene
CID 107171353
N-[2-(3-fluoro-4-methylphenoxy)ethyl]-2-methylbutan-2-amine
CID 107170931

Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-2-(3-fluoro-4-methylphenoxy)ethanamine?
The IUPAC name of N-(dicyclopropylmethyl)-2-(3-fluoro-4-methylphenoxy)ethanamine (CID 107170975) is N-(dicyclopropylmethyl)-2-(3-fluoro-4-methylphenoxy)ethanamine.
What is the SMILES notation for N-(dicyclopropylmethyl)-2-(3-fluoro-4-methylphenoxy)ethanamine?
The canonical SMILES for N-(dicyclopropylmethyl)-2-(3-fluoro-4-methylphenoxy)ethanamine is Cc1ccc(OCCNC(C2CC2)C2CC2)cc1F.
What is the InChIKey of N-(dicyclopropylmethyl)-2-(3-fluoro-4-methylphenoxy)ethanamine?
The InChIKey is DNCOVSVEVFJPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c1-11-2-7-14(10-15(11)17)19-9-8-18-16(12-3-4-12)13-5-6-13/h2,7,10,12-13,16,18H,3-6,8-9H2,1H3.
What are the key properties of N-(dicyclopropylmethyl)-2-(3-fluoro-4-methylphenoxy)ethanamine?
N-(dicyclopropylmethyl)-2-(3-fluoro-4-methylphenoxy)ethanamine has a molecular weight of 263.36 g/mol, XLogP of 3.29, 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-fluoro-4-methylphenoxy)ethanamine is sourced from PubChem (CID 107170975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).