3-[[cyclopropyl(ethyl)amino]methyl]-5-fluoroaniline

C12H17FN2 — CID 112645923

IUPAC3-[[cyclopropyl(ethyl)amino]methyl]-5-fluoroaniline
SMILESCCN(Cc1cc(N)cc(F)c1)C1CC1
InChIInChI=1S/C12H17FN2/c1-2-15(12-3-4-12)8-9-5-10(13)7-11(14)6-9/h5-7,12H,2-4,8,14H2,1H3
InChIKeyRLAGYGOIUCKOOJ-UHFFFAOYSA-N
MW208.28 g/mol
LogP2.39
Rot. Bonds4

About 3-[[cyclopropyl(ethyl)amino]methyl]-5-fluoroaniline

3-[[cyclopropyl(ethyl)amino]methyl]-5-fluoroaniline (PubChem CID 112645923) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is 3-[[cyclopropyl(ethyl)amino]methyl]-5-fluoroaniline.

Molecular Properties

Compound Name3-[[cyclopropyl(ethyl)amino]methyl]-5-fluoroaniline
PubChem CID112645923
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC Name3-[[cyclopropyl(ethyl)amino]methyl]-5-fluoroaniline
SMILESCCN(Cc1cc(N)cc(F)c1)C1CC1
InChIInChI=1S/C12H17FN2/c1-2-15(12-3-4-12)8-9-5-10(13)7-11(14)6-9/h5-7,12H,2-4,8,14H2,1H3
InChIKeyRLAGYGOIUCKOOJ-UHFFFAOYSA-N
XLogP2.39
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[[cyclopentyl(ethyl)amino]methyl]-5-methoxyaniline
CID 81149127
3-[3-[[cyclopropyl(ethyl)amino]methyl]-5-fluorophenyl]prop-2-yn-1-ol
CID 79710746
3-[[cyclopentyl(ethyl)amino]methyl]aniline
CID 43459100
3-[(4-ethylpiperazin-1-yl)methyl]-5-fluoroaniline
CID 112645892
3-[[butyl(ethyl)amino]methyl]-5-fluoroaniline
CID 112645909
4-N-[(3,4-difluorophenyl)methyl]-4-N-ethylcyclohexane-1,4-diamine
CID 79116008
4-N-[(3-chloro-5-fluorophenyl)methyl]-4-N-propylcyclohexane-1,4-diamine
CID 114453799
3-[[butyl(methyl)amino]methyl]-5-fluoroaniline
CID 112645907
N-[(4-aminophenyl)methyl]-N-ethylcycloheptanamine
CID 82929453
3-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-5-fluoroaniline
CID 112646219
N-[(3-amino-5-fluorophenyl)methyl]-N,1-dimethylpiperidin-3-amine
CID 112646134
3-[[ethyl(2-methylbutyl)amino]methyl]-5-fluoroaniline
CID 112646222

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopropyl(ethyl)amino]methyl]-5-fluoroaniline?
The IUPAC name of 3-[[cyclopropyl(ethyl)amino]methyl]-5-fluoroaniline (CID 112645923) is 3-[[cyclopropyl(ethyl)amino]methyl]-5-fluoroaniline.
What is the SMILES notation for 3-[[cyclopropyl(ethyl)amino]methyl]-5-fluoroaniline?
The canonical SMILES for 3-[[cyclopropyl(ethyl)amino]methyl]-5-fluoroaniline is CCN(Cc1cc(N)cc(F)c1)C1CC1.
What is the InChIKey of 3-[[cyclopropyl(ethyl)amino]methyl]-5-fluoroaniline?
The InChIKey is RLAGYGOIUCKOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2/c1-2-15(12-3-4-12)8-9-5-10(13)7-11(14)6-9/h5-7,12H,2-4,8,14H2,1H3.
What are the key properties of 3-[[cyclopropyl(ethyl)amino]methyl]-5-fluoroaniline?
3-[[cyclopropyl(ethyl)amino]methyl]-5-fluoroaniline has a molecular weight of 208.28 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclopropyl(ethyl)amino]methyl]-5-fluoroaniline is sourced from PubChem (CID 112645923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).