N-(cyclobutylmethyl)-N-ethyl-4-fluoro-2-[(2-methoxyethylamino)methyl]aniline

C17H27FN2O — CID 107399978

IUPACN-(cyclobutylmethyl)-N-ethyl-4-fluoro-2-[(2-methoxyethylamino)methyl]aniline
SMILESCCN(CC1CCC1)c1ccc(F)cc1CNCCOC
InChIInChI=1S/C17H27FN2O/c1-3-20(13-14-5-4-6-14)17-8-7-16(18)11-15(17)12-19-9-10-21-2/h7-8,11,14,19H,3-6,9-10,12-13H2,1-2H3
InChIKeyBIKGPCXLNRQJKD-UHFFFAOYSA-N
MW294.41 g/mol
LogP3.19
Rot. Bonds9

About N-(cyclobutylmethyl)-N-ethyl-4-fluoro-2-[(2-methoxyethylamino)methyl]aniline

N-(cyclobutylmethyl)-N-ethyl-4-fluoro-2-[(2-methoxyethylamino)methyl]aniline (PubChem CID 107399978) has the molecular formula C17H27FN2O and a molecular weight of 294.41 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-N-ethyl-4-fluoro-2-[(2-methoxyethylamino)methyl]aniline.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-N-ethyl-4-fluoro-2-[(2-methoxyethylamino)methyl]aniline
PubChem CID107399978
Molecular FormulaC17H27FN2O
Molecular Weight294.41 g/mol
Exact Mass294.21
IUPAC NameN-(cyclobutylmethyl)-N-ethyl-4-fluoro-2-[(2-methoxyethylamino)methyl]aniline
SMILESCCN(CC1CCC1)c1ccc(F)cc1CNCCOC
InChIInChI=1S/C17H27FN2O/c1-3-20(13-14-5-4-6-14)17-8-7-16(18)11-15(17)12-19-9-10-21-2/h7-8,11,14,19H,3-6,9-10,12-13H2,1-2H3
InChIKeyBIKGPCXLNRQJKD-UHFFFAOYSA-N
XLogP3.19
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclobutylmethyl)-N-ethyl-2-(ethylaminomethyl)-4-fluoroaniline
CID 107399877
N-(cyclopropylmethyl)-4-fluoro-2-[(2-methoxyethylamino)methyl]-N-methylaniline
CID 63059181
N-(cyclobutylmethyl)-N-ethyl-4-[(2-methoxyethylamino)methyl]-2-methylaniline
CID 107399906
2-(2-aminopropyl)-N-(cyclobutylmethyl)-N-ethyl-4-fluoroaniline
CID 107402451
2-chloro-N-(cyclopropylmethyl)-N-ethyl-4-[(2-methoxyethylamino)methyl]aniline
CID 81149933
N-[4-fluoro-2-[(2-methoxyethylamino)methyl]phenyl]-N-methylthiolan-3-amine
CID 63058598
4-fluoro-2-[(2-methoxyethylamino)methyl]-N-methyl-N-pentan-3-ylaniline
CID 63060764
N-ethyl-4-fluoro-N-(2-methoxyethyl)-2-[(2-methylpropylamino)methyl]aniline
CID 63059193
N-(cyclopropylmethyl)-N-ethyl-2,6-difluoro-4-[(2-methoxyethylamino)methyl]aniline
CID 63956847
N-(2,2-dimethylpropyl)-4-fluoro-2-[(2-methoxyethylamino)methyl]-N-methylaniline
CID 63071895
4-fluoro-2-[(2-methoxyethylamino)methyl]-N-methyl-N-(1-methylsulfanylpropan-2-yl)aniline
CID 115986356
N-cyclohexyl-N-ethyl-4-fluoro-2-(propylaminomethyl)aniline
CID 43313789

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-N-ethyl-4-fluoro-2-[(2-methoxyethylamino)methyl]aniline?
The IUPAC name of N-(cyclobutylmethyl)-N-ethyl-4-fluoro-2-[(2-methoxyethylamino)methyl]aniline (CID 107399978) is N-(cyclobutylmethyl)-N-ethyl-4-fluoro-2-[(2-methoxyethylamino)methyl]aniline.
What is the SMILES notation for N-(cyclobutylmethyl)-N-ethyl-4-fluoro-2-[(2-methoxyethylamino)methyl]aniline?
The canonical SMILES for N-(cyclobutylmethyl)-N-ethyl-4-fluoro-2-[(2-methoxyethylamino)methyl]aniline is CCN(CC1CCC1)c1ccc(F)cc1CNCCOC.
What is the InChIKey of N-(cyclobutylmethyl)-N-ethyl-4-fluoro-2-[(2-methoxyethylamino)methyl]aniline?
The InChIKey is BIKGPCXLNRQJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O/c1-3-20(13-14-5-4-6-14)17-8-7-16(18)11-15(17)12-19-9-10-21-2/h7-8,11,14,19H,3-6,9-10,12-13H2,1-2H3.
What are the key properties of N-(cyclobutylmethyl)-N-ethyl-4-fluoro-2-[(2-methoxyethylamino)methyl]aniline?
N-(cyclobutylmethyl)-N-ethyl-4-fluoro-2-[(2-methoxyethylamino)methyl]aniline has a molecular weight of 294.41 g/mol, XLogP of 3.19, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-N-ethyl-4-fluoro-2-[(2-methoxyethylamino)methyl]aniline is sourced from PubChem (CID 107399978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).