4-(2-aminobutyl)-N-(1-cyclopropylethyl)-2-fluoro-N-methylaniline

C16H25FN2 — CID 63787146

IUPAC4-(2-aminobutyl)-N-(1-cyclopropylethyl)-2-fluoro-N-methylaniline
SMILESCCC(N)Cc1ccc(N(C)C(C)C2CC2)c(F)c1
InChIInChI=1S/C16H25FN2/c1-4-14(18)9-12-5-8-16(15(17)10-12)19(3)11(2)13-6-7-13/h5,8,10-11,13-14H,4,6-7,9,18H2,1-3H3
InChIKeyVJIPEXPIGAZCMJ-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.34
Rot. Bonds6

About 4-(2-aminobutyl)-N-(1-cyclopropylethyl)-2-fluoro-N-methylaniline

4-(2-aminobutyl)-N-(1-cyclopropylethyl)-2-fluoro-N-methylaniline (PubChem CID 63787146) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is 4-(2-aminobutyl)-N-(1-cyclopropylethyl)-2-fluoro-N-methylaniline.

Molecular Properties

Compound Name4-(2-aminobutyl)-N-(1-cyclopropylethyl)-2-fluoro-N-methylaniline
PubChem CID63787146
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name4-(2-aminobutyl)-N-(1-cyclopropylethyl)-2-fluoro-N-methylaniline
SMILESCCC(N)Cc1ccc(N(C)C(C)C2CC2)c(F)c1
InChIInChI=1S/C16H25FN2/c1-4-14(18)9-12-5-8-16(15(17)10-12)19(3)11(2)13-6-7-13/h5,8,10-11,13-14H,4,6-7,9,18H2,1-3H3
InChIKeyVJIPEXPIGAZCMJ-UHFFFAOYSA-N
XLogP3.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminobutyl)-N-(1-cyclopropylethyl)-2-fluoro-N-methylaniline?
The IUPAC name of 4-(2-aminobutyl)-N-(1-cyclopropylethyl)-2-fluoro-N-methylaniline (CID 63787146) is 4-(2-aminobutyl)-N-(1-cyclopropylethyl)-2-fluoro-N-methylaniline.
What is the SMILES notation for 4-(2-aminobutyl)-N-(1-cyclopropylethyl)-2-fluoro-N-methylaniline?
The canonical SMILES for 4-(2-aminobutyl)-N-(1-cyclopropylethyl)-2-fluoro-N-methylaniline is CCC(N)Cc1ccc(N(C)C(C)C2CC2)c(F)c1.
What is the InChIKey of 4-(2-aminobutyl)-N-(1-cyclopropylethyl)-2-fluoro-N-methylaniline?
The InChIKey is VJIPEXPIGAZCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-4-14(18)9-12-5-8-16(15(17)10-12)19(3)11(2)13-6-7-13/h5,8,10-11,13-14H,4,6-7,9,18H2,1-3H3.
What are the key properties of 4-(2-aminobutyl)-N-(1-cyclopropylethyl)-2-fluoro-N-methylaniline?
4-(2-aminobutyl)-N-(1-cyclopropylethyl)-2-fluoro-N-methylaniline has a molecular weight of 264.39 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminobutyl)-N-(1-cyclopropylethyl)-2-fluoro-N-methylaniline is sourced from PubChem (CID 63787146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).