4-(1-aminoethyl)-N-(cyclobutylmethyl)-N-ethyl-2-fluoroaniline

C15H23FN2 — CID 107399231

IUPAC4-(1-aminoethyl)-N-(cyclobutylmethyl)-N-ethyl-2-fluoroaniline
SMILESCCN(CC1CCC1)c1ccc(C(C)N)cc1F
InChIInChI=1S/C15H23FN2/c1-3-18(10-12-5-4-6-12)15-8-7-13(11(2)17)9-14(15)16/h7-9,11-12H,3-6,10,17H2,1-2H3
InChIKeyKLEXAFHQNXQNDF-UHFFFAOYSA-N
MW250.36 g/mol
LogP3.47
Rot. Bonds5

About 4-(1-aminoethyl)-N-(cyclobutylmethyl)-N-ethyl-2-fluoroaniline

4-(1-aminoethyl)-N-(cyclobutylmethyl)-N-ethyl-2-fluoroaniline (PubChem CID 107399231) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is 4-(1-aminoethyl)-N-(cyclobutylmethyl)-N-ethyl-2-fluoroaniline.

Molecular Properties

Compound Name4-(1-aminoethyl)-N-(cyclobutylmethyl)-N-ethyl-2-fluoroaniline
PubChem CID107399231
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name4-(1-aminoethyl)-N-(cyclobutylmethyl)-N-ethyl-2-fluoroaniline
SMILESCCN(CC1CCC1)c1ccc(C(C)N)cc1F
InChIInChI=1S/C15H23FN2/c1-3-18(10-12-5-4-6-12)15-8-7-13(11(2)17)9-14(15)16/h7-9,11-12H,3-6,10,17H2,1-2H3
InChIKeyKLEXAFHQNXQNDF-UHFFFAOYSA-N
XLogP3.47
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1-aminoethyl)-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline
CID 63630716
N-(cyclobutylmethyl)-N-ethyl-2-fluoro-4-[(propan-2-ylamino)methyl]aniline
CID 107399971
4-[cyclobutylmethyl(ethyl)amino]-3-fluorobenzaldehyde
CID 107399466
4-[(1R)-1-aminoethyl]-N-ethyl-2-fluoro-N-methylaniline
CID 63368247
2-[(1R)-1-aminoethyl]-N-(cyclobutylmethyl)-N-ethyl-4-fluoro-5-methylaniline
CID 107399251
4-[(1S)-1-aminoethyl]-N-ethyl-2-fluoro-N-(2-methylbutyl)aniline
CID 79477852
2-(2-aminopropyl)-N-(cyclobutylmethyl)-N-ethyl-4-fluoroaniline
CID 107402451
3-[4-[(1R)-1-aminoethyl]-N-ethyl-2-fluoroanilino]propan-1-ol
CID 104861804
4-[(1R)-1-aminoethyl]-N-ethyl-2-fluoro-N-(2-methoxyethyl)aniline
CID 63368752
4-(1-aminoethyl)-2-fluoro-N-methyl-N-(oxan-3-ylmethyl)aniline
CID 55227392
4-(1-aminoethyl)-N-ethyl-2-fluoro-N-propan-2-ylaniline
CID 43265907
1-[4-[cyclopropylmethyl(propyl)amino]-3-fluorophenyl]ethanol
CID 61445224

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)-N-(cyclobutylmethyl)-N-ethyl-2-fluoroaniline?
The IUPAC name of 4-(1-aminoethyl)-N-(cyclobutylmethyl)-N-ethyl-2-fluoroaniline (CID 107399231) is 4-(1-aminoethyl)-N-(cyclobutylmethyl)-N-ethyl-2-fluoroaniline.
What is the SMILES notation for 4-(1-aminoethyl)-N-(cyclobutylmethyl)-N-ethyl-2-fluoroaniline?
The canonical SMILES for 4-(1-aminoethyl)-N-(cyclobutylmethyl)-N-ethyl-2-fluoroaniline is CCN(CC1CCC1)c1ccc(C(C)N)cc1F.
What is the InChIKey of 4-(1-aminoethyl)-N-(cyclobutylmethyl)-N-ethyl-2-fluoroaniline?
The InChIKey is KLEXAFHQNXQNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-3-18(10-12-5-4-6-12)15-8-7-13(11(2)17)9-14(15)16/h7-9,11-12H,3-6,10,17H2,1-2H3.
What are the key properties of 4-(1-aminoethyl)-N-(cyclobutylmethyl)-N-ethyl-2-fluoroaniline?
4-(1-aminoethyl)-N-(cyclobutylmethyl)-N-ethyl-2-fluoroaniline has a molecular weight of 250.36 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)-N-(cyclobutylmethyl)-N-ethyl-2-fluoroaniline is sourced from PubChem (CID 107399231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).