4-(2-aminobutyl)-2-fluoro-N-methyl-N-pentylaniline

C16H27FN2 — CID 63785639

IUPAC4-(2-aminobutyl)-2-fluoro-N-methyl-N-pentylaniline
SMILESCCCCCN(C)c1ccc(CC(N)CC)cc1F
InChIInChI=1S/C16H27FN2/c1-4-6-7-10-19(3)16-9-8-13(12-15(16)17)11-14(18)5-2/h8-9,12,14H,4-7,10-11,18H2,1-3H3
InChIKeyZZZMZCOYHJWQDU-UHFFFAOYSA-N
MW266.40 g/mol
LogP3.73
Rot. Bonds8

About 4-(2-aminobutyl)-2-fluoro-N-methyl-N-pentylaniline

4-(2-aminobutyl)-2-fluoro-N-methyl-N-pentylaniline (PubChem CID 63785639) has the molecular formula C16H27FN2 and a molecular weight of 266.40 g/mol. Its IUPAC name is 4-(2-aminobutyl)-2-fluoro-N-methyl-N-pentylaniline.

Molecular Properties

Compound Name4-(2-aminobutyl)-2-fluoro-N-methyl-N-pentylaniline
PubChem CID63785639
Molecular FormulaC16H27FN2
Molecular Weight266.40 g/mol
Exact Mass266.22
IUPAC Name4-(2-aminobutyl)-2-fluoro-N-methyl-N-pentylaniline
SMILESCCCCCN(C)c1ccc(CC(N)CC)cc1F
InChIInChI=1S/C16H27FN2/c1-4-6-7-10-19(3)16-9-8-13(12-15(16)17)11-14(18)5-2/h8-9,12,14H,4-7,10-11,18H2,1-3H3
InChIKeyZZZMZCOYHJWQDU-UHFFFAOYSA-N
XLogP3.73
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.40
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2-aminobutyl)-N-butyl-N-ethyl-2-fluoroaniline
CID 63786416
4-(aminomethyl)-N-butyl-2-fluoro-N-methylaniline
CID 28965098
4-(2-aminobutyl)-2-fluoro-N-methyl-N-(thiophen-3-ylmethyl)aniline
CID 63785488
4-(2-aminobutyl)-N-(1-cyclopropylethyl)-2-fluoro-N-methylaniline
CID 63787146
4-(2-aminobutyl)-2-fluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 63793316
(1S)-1-[3-fluoro-4-[methyl(pentyl)amino]phenyl]ethanol
CID 78939586
4-(2-aminobutyl)-2-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 79312079
4-(2-aminobutyl)-2-fluoro-N-methyl-N-(oxan-3-ylmethyl)aniline
CID 63795040
N-butyl-4-[(tert-butylamino)methyl]-2-fluoro-N-methylaniline
CID 63061057
2-[(1R)-1-aminoethyl]-4-fluoro-N-methyl-N-pentylaniline
CID 63368290
2-(1-aminoethyl)-3-fluoro-N-methyl-N-pentylaniline
CID 43295036
[3-fluoro-4-[methyl(propyl)amino]phenyl]methanol
CID 43271461

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminobutyl)-2-fluoro-N-methyl-N-pentylaniline?
The IUPAC name of 4-(2-aminobutyl)-2-fluoro-N-methyl-N-pentylaniline (CID 63785639) is 4-(2-aminobutyl)-2-fluoro-N-methyl-N-pentylaniline.
What is the SMILES notation for 4-(2-aminobutyl)-2-fluoro-N-methyl-N-pentylaniline?
The canonical SMILES for 4-(2-aminobutyl)-2-fluoro-N-methyl-N-pentylaniline is CCCCCN(C)c1ccc(CC(N)CC)cc1F.
What is the InChIKey of 4-(2-aminobutyl)-2-fluoro-N-methyl-N-pentylaniline?
The InChIKey is ZZZMZCOYHJWQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27FN2/c1-4-6-7-10-19(3)16-9-8-13(12-15(16)17)11-14(18)5-2/h8-9,12,14H,4-7,10-11,18H2,1-3H3.
What are the key properties of 4-(2-aminobutyl)-2-fluoro-N-methyl-N-pentylaniline?
4-(2-aminobutyl)-2-fluoro-N-methyl-N-pentylaniline has a molecular weight of 266.40 g/mol, XLogP of 3.73, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminobutyl)-2-fluoro-N-methyl-N-pentylaniline is sourced from PubChem (CID 63785639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).