3-fluoro-4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]aniline

C13H21FN2O — CID 81059577

IUPAC3-fluoro-4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]aniline
SMILESCC(C)OCCN(C)Cc1ccc(N)cc1F
InChIInChI=1S/C13H21FN2O/c1-10(2)17-7-6-16(3)9-11-4-5-12(15)8-13(11)14/h4-5,8,10H,6-7,9,15H2,1-3H3
InChIKeyRJCLTMNMYJZRAI-UHFFFAOYSA-N
MW240.32 g/mol
LogP2.26
Rot. Bonds6

About 3-fluoro-4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]aniline

3-fluoro-4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]aniline (PubChem CID 81059577) has the molecular formula C13H21FN2O and a molecular weight of 240.32 g/mol. Its IUPAC name is 3-fluoro-4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]aniline.

Molecular Properties

Compound Name3-fluoro-4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]aniline
PubChem CID81059577
Molecular FormulaC13H21FN2O
Molecular Weight240.32 g/mol
Exact Mass240.16
IUPAC Name3-fluoro-4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]aniline
SMILESCC(C)OCCN(C)Cc1ccc(N)cc1F
InChIInChI=1S/C13H21FN2O/c1-10(2)17-7-6-16(3)9-11-4-5-12(15)8-13(11)14/h4-5,8,10H,6-7,9,15H2,1-3H3
InChIKeyRJCLTMNMYJZRAI-UHFFFAOYSA-N
XLogP2.26
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-2-propan-2-yloxyethanamine
CID 81059488
3-fluoro-4-[[methyl(propyl)amino]methyl]aniline
CID 64768064
4-fluoro-2-[[methyl(2-propan-2-yloxyethyl)amino]methyl]aniline
CID 81059061
5-bromo-2-[[methyl(2-propan-2-yloxyethyl)amino]methyl]aniline
CID 81055796
4-[[butan-2-yl(methyl)amino]methyl]-3-fluoroaniline
CID 64768257
3-fluoro-4-[[methyl(3-methylbutan-2-yl)amino]methyl]aniline
CID 64769432
2-[[methyl(2-propan-2-yloxyethyl)amino]methyl]-4-nitroaniline
CID 81074477
2-bromo-1-N-methyl-1-N-(2-propan-2-yloxyethyl)benzene-1,4-diamine
CID 81059262
6-[[methyl(2-propan-2-yloxyethyl)amino]methyl]pyridin-2-amine
CID 81074389
4-bromo-3-[[2-ethoxyethyl(methyl)amino]methyl]aniline
CID 115297795
5-amino-2-bromo-N-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 81052656
1-N-methyl-1-N-(2-propan-2-yloxyethyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 81059481

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]aniline?
The IUPAC name of 3-fluoro-4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]aniline (CID 81059577) is 3-fluoro-4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]aniline.
What is the SMILES notation for 3-fluoro-4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]aniline?
The canonical SMILES for 3-fluoro-4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]aniline is CC(C)OCCN(C)Cc1ccc(N)cc1F.
What is the InChIKey of 3-fluoro-4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]aniline?
The InChIKey is RJCLTMNMYJZRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O/c1-10(2)17-7-6-16(3)9-11-4-5-12(15)8-13(11)14/h4-5,8,10H,6-7,9,15H2,1-3H3.
What are the key properties of 3-fluoro-4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]aniline?
3-fluoro-4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]aniline has a molecular weight of 240.32 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]aniline is sourced from PubChem (CID 81059577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).