N-butan-2-yl-N-butyl-2-(ethylaminomethyl)-4-fluoroaniline

C17H29FN2 — CID 63551014

IUPACN-butan-2-yl-N-butyl-2-(ethylaminomethyl)-4-fluoroaniline
SMILESCCCCN(c1ccc(F)cc1CNCC)C(C)CC
InChIInChI=1S/C17H29FN2/c1-5-8-11-20(14(4)6-2)17-10-9-16(18)12-15(17)13-19-7-3/h9-10,12,14,19H,5-8,11,13H2,1-4H3
InChIKeyBOLFHAPUZLEPNP-UHFFFAOYSA-N
MW280.43 g/mol
LogP4.34
Rot. Bonds9

About N-butan-2-yl-N-butyl-2-(ethylaminomethyl)-4-fluoroaniline

N-butan-2-yl-N-butyl-2-(ethylaminomethyl)-4-fluoroaniline (PubChem CID 63551014) has the molecular formula C17H29FN2 and a molecular weight of 280.43 g/mol. Its IUPAC name is N-butan-2-yl-N-butyl-2-(ethylaminomethyl)-4-fluoroaniline.

Molecular Properties

Compound NameN-butan-2-yl-N-butyl-2-(ethylaminomethyl)-4-fluoroaniline
PubChem CID63551014
Molecular FormulaC17H29FN2
Molecular Weight280.43 g/mol
Exact Mass280.23
IUPAC NameN-butan-2-yl-N-butyl-2-(ethylaminomethyl)-4-fluoroaniline
SMILESCCCCN(c1ccc(F)cc1CNCC)C(C)CC
InChIInChI=1S/C17H29FN2/c1-5-8-11-20(14(4)6-2)17-10-9-16(18)12-15(17)13-19-7-3/h9-10,12,14,19H,5-8,11,13H2,1-4H3
InChIKeyBOLFHAPUZLEPNP-UHFFFAOYSA-N
XLogP4.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.43
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dibutyl-2-(ethylaminomethyl)-4-fluoroaniline
CID 43313896
2-(ethylaminomethyl)-4-fluoro-N-propan-2-yl-N-propylaniline
CID 43313953
2-[N-butyl-2-(ethylaminomethyl)-4-fluoroanilino]ethanol
CID 61447090
2-(2-aminobutyl)-N-butan-2-yl-N-butyl-4-fluoroaniline
CID 63816560
2-(ethylaminomethyl)-4-fluoro-N-(2-methoxyethyl)-N-propan-2-ylaniline
CID 82961156
2-[2-(ethylaminomethyl)-4-fluoro-N-methylanilino]propan-1-ol
CID 113426132
4-fluoro-N-pentyl-N-propan-2-yl-2-[(propan-2-ylamino)methyl]aniline
CID 63551569
N-butan-2-yl-4-fluoro-N-(2-methoxyethyl)-2-(methylaminomethyl)aniline
CID 54999850
N-butan-2-yl-N-butyl-4-(ethylaminomethyl)-3-fluoropyridin-2-amine
CID 105389714
4-fluoro-2-(methylaminomethyl)-N-propan-2-yl-N-propylaniline
CID 43313954
N-cyclopropyl-2-(ethylaminomethyl)-4-fluoro-N-methylaniline
CID 43313923
5-[2-(ethylaminomethyl)-4-fluoro-N-methylanilino]pentan-1-ol
CID 107201266

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-butyl-2-(ethylaminomethyl)-4-fluoroaniline?
The IUPAC name of N-butan-2-yl-N-butyl-2-(ethylaminomethyl)-4-fluoroaniline (CID 63551014) is N-butan-2-yl-N-butyl-2-(ethylaminomethyl)-4-fluoroaniline.
What is the SMILES notation for N-butan-2-yl-N-butyl-2-(ethylaminomethyl)-4-fluoroaniline?
The canonical SMILES for N-butan-2-yl-N-butyl-2-(ethylaminomethyl)-4-fluoroaniline is CCCCN(c1ccc(F)cc1CNCC)C(C)CC.
What is the InChIKey of N-butan-2-yl-N-butyl-2-(ethylaminomethyl)-4-fluoroaniline?
The InChIKey is BOLFHAPUZLEPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29FN2/c1-5-8-11-20(14(4)6-2)17-10-9-16(18)12-15(17)13-19-7-3/h9-10,12,14,19H,5-8,11,13H2,1-4H3.
What are the key properties of N-butan-2-yl-N-butyl-2-(ethylaminomethyl)-4-fluoroaniline?
N-butan-2-yl-N-butyl-2-(ethylaminomethyl)-4-fluoroaniline has a molecular weight of 280.43 g/mol, XLogP of 4.34, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-butyl-2-(ethylaminomethyl)-4-fluoroaniline is sourced from PubChem (CID 63551014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).