3-(2-aminoethyl)-5-fluoro-N-pentyl-N-propan-2-ylaniline

C16H27FN2 — CID 106532663

IUPAC3-(2-aminoethyl)-5-fluoro-N-pentyl-N-propan-2-ylaniline
SMILESCCCCCN(c1cc(F)cc(CCN)c1)C(C)C
InChIInChI=1S/C16H27FN2/c1-4-5-6-9-19(13(2)3)16-11-14(7-8-18)10-15(17)12-16/h10-13H,4-9,18H2,1-3H3
InChIKeySQGCZTOAPSIPJP-UHFFFAOYSA-N
MW266.40 g/mol
LogP3.73
Rot. Bonds8

About 3-(2-aminoethyl)-5-fluoro-N-pentyl-N-propan-2-ylaniline

3-(2-aminoethyl)-5-fluoro-N-pentyl-N-propan-2-ylaniline (PubChem CID 106532663) has the molecular formula C16H27FN2 and a molecular weight of 266.40 g/mol. Its IUPAC name is 3-(2-aminoethyl)-5-fluoro-N-pentyl-N-propan-2-ylaniline.

Molecular Properties

Compound Name3-(2-aminoethyl)-5-fluoro-N-pentyl-N-propan-2-ylaniline
PubChem CID106532663
Molecular FormulaC16H27FN2
Molecular Weight266.40 g/mol
Exact Mass266.22
IUPAC Name3-(2-aminoethyl)-5-fluoro-N-pentyl-N-propan-2-ylaniline
SMILESCCCCCN(c1cc(F)cc(CCN)c1)C(C)C
InChIInChI=1S/C16H27FN2/c1-4-5-6-9-19(13(2)3)16-11-14(7-8-18)10-15(17)12-16/h10-13H,4-9,18H2,1-3H3
InChIKeySQGCZTOAPSIPJP-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

3-(ethylaminomethyl)-5-fluoro-N-pentyl-N-propan-2-ylaniline
CID 106532666
4-(aminomethyl)-2,6-difluoro-N-pentyl-N-propan-2-ylaniline
CID 55148129
2-[3-(aminomethyl)-5-fluoro-N-propan-2-ylanilino]ethanol
CID 102813731
3-(2-aminoethyl)-5-fluoro-N-methyl-N-(2-methylpropyl)aniline
CID 106532176
3-[3-fluoro-5-(methylaminomethyl)-N-propan-2-ylanilino]propan-1-ol
CID 106530897
4-(2-aminoethyl)-N-propan-2-yl-N-propylaniline
CID 63783737
4-(bromomethyl)-2,6-difluoro-N-pentyl-N-propan-2-ylaniline
CID 107081894
3-(2-aminoethyl)-N-ethyl-5-fluoro-N-(2-methoxyethyl)aniline
CID 106532625
3-(aminomethyl)-5-fluoro-N-methyl-N-pentan-2-ylaniline
CID 102813482
4-(ethylaminomethyl)-2,6-difluoro-N-pentyl-N-propan-2-ylaniline
CID 63553234
4-[(1S)-1-aminoethyl]-2-fluoro-N-pentyl-N-propan-2-ylaniline
CID 55188895
4-N-pentyl-4-N-propan-2-yl-2-(trifluoromethyl)benzene-1,4-diamine
CID 63402640

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-5-fluoro-N-pentyl-N-propan-2-ylaniline?
The IUPAC name of 3-(2-aminoethyl)-5-fluoro-N-pentyl-N-propan-2-ylaniline (CID 106532663) is 3-(2-aminoethyl)-5-fluoro-N-pentyl-N-propan-2-ylaniline.
What is the SMILES notation for 3-(2-aminoethyl)-5-fluoro-N-pentyl-N-propan-2-ylaniline?
The canonical SMILES for 3-(2-aminoethyl)-5-fluoro-N-pentyl-N-propan-2-ylaniline is CCCCCN(c1cc(F)cc(CCN)c1)C(C)C.
What is the InChIKey of 3-(2-aminoethyl)-5-fluoro-N-pentyl-N-propan-2-ylaniline?
The InChIKey is SQGCZTOAPSIPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27FN2/c1-4-5-6-9-19(13(2)3)16-11-14(7-8-18)10-15(17)12-16/h10-13H,4-9,18H2,1-3H3.
What are the key properties of 3-(2-aminoethyl)-5-fluoro-N-pentyl-N-propan-2-ylaniline?
3-(2-aminoethyl)-5-fluoro-N-pentyl-N-propan-2-ylaniline 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 3-(2-aminoethyl)-5-fluoro-N-pentyl-N-propan-2-ylaniline is sourced from PubChem (CID 106532663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).