N-(cyclopropylmethyl)-4-fluoro-2-[(2-methoxyethylamino)methyl]-N-methylaniline

C15H23FN2O — CID 63059181

IUPACN-(cyclopropylmethyl)-4-fluoro-2-[(2-methoxyethylamino)methyl]-N-methylaniline
SMILESCOCCNCc1cc(F)ccc1N(C)CC1CC1
InChIInChI=1S/C15H23FN2O/c1-18(11-12-3-4-12)15-6-5-14(16)9-13(15)10-17-7-8-19-2/h5-6,9,12,17H,3-4,7-8,10-11H2,1-2H3
InChIKeyKTHXILIKNRVUPZ-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.41
Rot. Bonds8

About N-(cyclopropylmethyl)-4-fluoro-2-[(2-methoxyethylamino)methyl]-N-methylaniline

N-(cyclopropylmethyl)-4-fluoro-2-[(2-methoxyethylamino)methyl]-N-methylaniline (PubChem CID 63059181) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-fluoro-2-[(2-methoxyethylamino)methyl]-N-methylaniline.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-fluoro-2-[(2-methoxyethylamino)methyl]-N-methylaniline
PubChem CID63059181
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC NameN-(cyclopropylmethyl)-4-fluoro-2-[(2-methoxyethylamino)methyl]-N-methylaniline
SMILESCOCCNCc1cc(F)ccc1N(C)CC1CC1
InChIInChI=1S/C15H23FN2O/c1-18(11-12-3-4-12)15-6-5-14(16)9-13(15)10-17-7-8-19-2/h5-6,9,12,17H,3-4,7-8,10-11H2,1-2H3
InChIKeyKTHXILIKNRVUPZ-UHFFFAOYSA-N
XLogP2.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(cyclopropylmethyl)-4-fluoro-2-[(2-methoxyethylamino)methyl]-N-methylaniline 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-(cyclobutylmethyl)-N-ethyl-4-fluoro-2-[(2-methoxyethylamino)methyl]aniline
CID 107399978
N-(2,2-dimethylpropyl)-4-fluoro-2-[(2-methoxyethylamino)methyl]-N-methylaniline
CID 63071895
1-[4-fluoro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]propan-2-ol
CID 55147418
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-(cyclohexylmethyl)-4-fluoro-N-methyl-2-(methylaminomethyl)aniline
CID 61446915
4-fluoro-N-methyl-N-(oxan-3-ylmethyl)-2-(propylaminomethyl)aniline
CID 63711217
2-[(tert-butylamino)methyl]-N-(cyclobutylmethyl)-4-fluoro-N-methylaniline
CID 63071507
4-fluoro-2-[(2-methoxyethylamino)methyl]-N-methyl-N-(1-methylsulfanylpropan-2-yl)aniline
CID 115986356
2-[4-fluoro-2-[(2-methoxyethylamino)methyl]-N-propan-2-ylanilino]acetamide
CID 63071874
N-ethyl-2-fluoro-4-[(2-methoxyethylamino)methyl]-N-methylaniline
CID 63060724
[2-[cyclohexylmethyl(methyl)amino]-5-fluorophenyl]methanol
CID 61446000

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-fluoro-2-[(2-methoxyethylamino)methyl]-N-methylaniline?
The IUPAC name of N-(cyclopropylmethyl)-4-fluoro-2-[(2-methoxyethylamino)methyl]-N-methylaniline (CID 63059181) is N-(cyclopropylmethyl)-4-fluoro-2-[(2-methoxyethylamino)methyl]-N-methylaniline.
What is the SMILES notation for N-(cyclopropylmethyl)-4-fluoro-2-[(2-methoxyethylamino)methyl]-N-methylaniline?
The canonical SMILES for N-(cyclopropylmethyl)-4-fluoro-2-[(2-methoxyethylamino)methyl]-N-methylaniline is COCCNCc1cc(F)ccc1N(C)CC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-4-fluoro-2-[(2-methoxyethylamino)methyl]-N-methylaniline?
The InChIKey is KTHXILIKNRVUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-18(11-12-3-4-12)15-6-5-14(16)9-13(15)10-17-7-8-19-2/h5-6,9,12,17H,3-4,7-8,10-11H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-4-fluoro-2-[(2-methoxyethylamino)methyl]-N-methylaniline?
N-(cyclopropylmethyl)-4-fluoro-2-[(2-methoxyethylamino)methyl]-N-methylaniline has a molecular weight of 266.36 g/mol, XLogP of 2.41, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-fluoro-2-[(2-methoxyethylamino)methyl]-N-methylaniline is sourced from PubChem (CID 63059181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).