N-[(2,6-difluoro-4-methoxyphenyl)-(2-methylcyclopropyl)methyl]ethanamine

C14H19F2NO — CID 54880573

IUPACN-[(2,6-difluoro-4-methoxyphenyl)-(2-methylcyclopropyl)methyl]ethanamine
SMILESCCNC(c1c(F)cc(OC)cc1F)C1CC1C
InChIInChI=1S/C14H19F2NO/c1-4-17-14(10-5-8(10)2)13-11(15)6-9(18-3)7-12(13)16/h6-8,10,14,17H,4-5H2,1-3H3
InChIKeySRNOMUGUUTUPHR-UHFFFAOYSA-N
MW255.31 g/mol
LogP3.28
Rot. Bonds5

About N-[(2,6-difluoro-4-methoxyphenyl)-(2-methylcyclopropyl)methyl]ethanamine

N-[(2,6-difluoro-4-methoxyphenyl)-(2-methylcyclopropyl)methyl]ethanamine (PubChem CID 54880573) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is N-[(2,6-difluoro-4-methoxyphenyl)-(2-methylcyclopropyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,6-difluoro-4-methoxyphenyl)-(2-methylcyclopropyl)methyl]ethanamine
PubChem CID54880573
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC NameN-[(2,6-difluoro-4-methoxyphenyl)-(2-methylcyclopropyl)methyl]ethanamine
SMILESCCNC(c1c(F)cc(OC)cc1F)C1CC1C
InChIInChI=1S/C14H19F2NO/c1-4-17-14(10-5-8(10)2)13-11(15)6-9(18-3)7-12(13)16/h6-8,10,14,17H,4-5H2,1-3H3
InChIKeySRNOMUGUUTUPHR-UHFFFAOYSA-N
XLogP3.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2,6-difluoro-4-methoxyphenyl)-(2-methylcyclopropyl)methyl]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-[(2-methylcyclopropyl)-(2,4,6-trimethoxyphenyl)methyl]ethanamine
CID 43490270
N-[(2-fluoro-4-methoxyphenyl)-(2-methylcyclopropyl)methyl]ethanamine
CID 43561496
N-[(2,6-difluorophenyl)-(2-methylcyclopropyl)methyl]ethanamine
CID 65419554
N-[(3-bromo-2,6-difluorophenyl)-(2-methylcyclopropyl)methyl]ethanamine
CID 106942650
N-[(2-fluorophenyl)-(2-methylcyclopropyl)methyl]ethanamine
CID 65421935
N-[(2-fluoro-5-methylphenyl)-(2-methylcyclopropyl)methyl]ethanamine
CID 65421716
1-(2,6-difluoro-4-methoxyphenyl)-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 54880574
N-[(4-methoxy-3-methylphenyl)-(2-methylcyclopropyl)methyl]ethanamine
CID 43493659
N-[(2-chloro-5-fluorophenyl)-(2-methylcyclopropyl)methyl]ethanamine
CID 105395094
N-[(5-fluoro-2-methylphenyl)-(2-methylcyclopropyl)methyl]ethanamine
CID 65419979
N-[cycloheptyl-(2-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 63503561
1-cyclohexyl-1-(2,6-difluoro-4-methoxyphenyl)-N-methylmethanamine
CID 54880539

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluoro-4-methoxyphenyl)-(2-methylcyclopropyl)methyl]ethanamine?
The IUPAC name of N-[(2,6-difluoro-4-methoxyphenyl)-(2-methylcyclopropyl)methyl]ethanamine (CID 54880573) is N-[(2,6-difluoro-4-methoxyphenyl)-(2-methylcyclopropyl)methyl]ethanamine.
What is the SMILES notation for N-[(2,6-difluoro-4-methoxyphenyl)-(2-methylcyclopropyl)methyl]ethanamine?
The canonical SMILES for N-[(2,6-difluoro-4-methoxyphenyl)-(2-methylcyclopropyl)methyl]ethanamine is CCNC(c1c(F)cc(OC)cc1F)C1CC1C.
What is the InChIKey of N-[(2,6-difluoro-4-methoxyphenyl)-(2-methylcyclopropyl)methyl]ethanamine?
The InChIKey is SRNOMUGUUTUPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-4-17-14(10-5-8(10)2)13-11(15)6-9(18-3)7-12(13)16/h6-8,10,14,17H,4-5H2,1-3H3.
What are the key properties of N-[(2,6-difluoro-4-methoxyphenyl)-(2-methylcyclopropyl)methyl]ethanamine?
N-[(2,6-difluoro-4-methoxyphenyl)-(2-methylcyclopropyl)methyl]ethanamine has a molecular weight of 255.31 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluoro-4-methoxyphenyl)-(2-methylcyclopropyl)methyl]ethanamine is sourced from PubChem (CID 54880573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).