4-[1-(ethylamino)ethyl]-2-fluoro-N-pentyl-N-propan-2-ylaniline

C18H31FN2 — CID 63532999

IUPAC4-[1-(ethylamino)ethyl]-2-fluoro-N-pentyl-N-propan-2-ylaniline
SMILESCCCCCN(c1ccc(C(C)NCC)cc1F)C(C)C
InChIInChI=1S/C18H31FN2/c1-6-8-9-12-21(14(3)4)18-11-10-16(13-17(18)19)15(5)20-7-2/h10-11,13-15,20H,6-9,12H2,1-5H3
InChIKeyBGSOGXMLUUHNCA-UHFFFAOYSA-N
MW294.46 g/mol
LogP4.90
Rot. Bonds9

About 4-[1-(ethylamino)ethyl]-2-fluoro-N-pentyl-N-propan-2-ylaniline

4-[1-(ethylamino)ethyl]-2-fluoro-N-pentyl-N-propan-2-ylaniline (PubChem CID 63532999) has the molecular formula C18H31FN2 and a molecular weight of 294.46 g/mol. Its IUPAC name is 4-[1-(ethylamino)ethyl]-2-fluoro-N-pentyl-N-propan-2-ylaniline.

Molecular Properties

Compound Name4-[1-(ethylamino)ethyl]-2-fluoro-N-pentyl-N-propan-2-ylaniline
PubChem CID63532999
Molecular FormulaC18H31FN2
Molecular Weight294.46 g/mol
Exact Mass294.25
IUPAC Name4-[1-(ethylamino)ethyl]-2-fluoro-N-pentyl-N-propan-2-ylaniline
SMILESCCCCCN(c1ccc(C(C)NCC)cc1F)C(C)C
InChIInChI=1S/C18H31FN2/c1-6-8-9-12-21(14(3)4)18-11-10-16(13-17(18)19)15(5)20-7-2/h10-11,13-15,20H,6-9,12H2,1-5H3
InChIKeyBGSOGXMLUUHNCA-UHFFFAOYSA-N
XLogP4.90
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[1-(ethylamino)ethyl]-2-fluoro-N-(2-methylpropyl)-N-propan-2-ylaniline
CID 63532693
4-[(1S)-1-aminoethyl]-2-fluoro-N-pentyl-N-propan-2-ylaniline
CID 55188895
2-chloro-4-[1-(ethylamino)ethyl]-N-propan-2-yl-N-propylaniline
CID 63533725
2-[1-(ethylamino)ethyl]-N-pentyl-N-propan-2-ylaniline
CID 63533282
2-bromo-4-[1-(ethylamino)ethyl]-N-methyl-N-pentylaniline
CID 63532676
N,N-dibutyl-2-chloro-4-[1-(ethylamino)ethyl]aniline
CID 63532224
N-cyclopentyl-4-[1-(ethylamino)ethyl]-2-fluoro-N-methylaniline
CID 43284607
2-fluoro-N-methyl-N-propyl-4-[1-(propylamino)ethyl]aniline
CID 43284666
4-fluoro-N-pentyl-N-propan-2-yl-2-[(propan-2-ylamino)methyl]aniline
CID 63551569
N-benzyl-4-[1-(ethylamino)ethyl]-2-fluoro-N-methylaniline
CID 43284102
N-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]-N-methylcycloheptanamine
CID 43614154
4-(1-aminoethyl)-N-ethyl-2-fluoro-N-propan-2-ylaniline
CID 43265907

Frequently Asked Questions

What is the IUPAC name of 4-[1-(ethylamino)ethyl]-2-fluoro-N-pentyl-N-propan-2-ylaniline?
The IUPAC name of 4-[1-(ethylamino)ethyl]-2-fluoro-N-pentyl-N-propan-2-ylaniline (CID 63532999) is 4-[1-(ethylamino)ethyl]-2-fluoro-N-pentyl-N-propan-2-ylaniline.
What is the SMILES notation for 4-[1-(ethylamino)ethyl]-2-fluoro-N-pentyl-N-propan-2-ylaniline?
The canonical SMILES for 4-[1-(ethylamino)ethyl]-2-fluoro-N-pentyl-N-propan-2-ylaniline is CCCCCN(c1ccc(C(C)NCC)cc1F)C(C)C.
What is the InChIKey of 4-[1-(ethylamino)ethyl]-2-fluoro-N-pentyl-N-propan-2-ylaniline?
The InChIKey is BGSOGXMLUUHNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31FN2/c1-6-8-9-12-21(14(3)4)18-11-10-16(13-17(18)19)15(5)20-7-2/h10-11,13-15,20H,6-9,12H2,1-5H3.
What are the key properties of 4-[1-(ethylamino)ethyl]-2-fluoro-N-pentyl-N-propan-2-ylaniline?
4-[1-(ethylamino)ethyl]-2-fluoro-N-pentyl-N-propan-2-ylaniline has a molecular weight of 294.46 g/mol, XLogP of 4.90, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(ethylamino)ethyl]-2-fluoro-N-pentyl-N-propan-2-ylaniline is sourced from PubChem (CID 63532999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).