2-[(1R)-1-aminoethyl]-6-fluoro-N-methyl-N-pent-4-enylaniline

C14H21FN2 — CID 114058799

IUPAC2-[(1R)-1-aminoethyl]-6-fluoro-N-methyl-N-pent-4-enylaniline
SMILESC=CCCCN(C)c1c(F)cccc1[C@@H](C)N
InChIInChI=1S/C14H21FN2/c1-4-5-6-10-17(3)14-12(11(2)16)8-7-9-13(14)15/h4,7-9,11H,1,5-6,10,16H2,2-3H3/t11-/m1/s1
InChIKeyHYSNJRAVBKSLID-LLVKDONJSA-N
MW236.33 g/mol
LogP3.25
Rot. Bonds6

About 2-[(1R)-1-aminoethyl]-6-fluoro-N-methyl-N-pent-4-enylaniline

2-[(1R)-1-aminoethyl]-6-fluoro-N-methyl-N-pent-4-enylaniline (PubChem CID 114058799) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 2-[(1R)-1-aminoethyl]-6-fluoro-N-methyl-N-pent-4-enylaniline.

Molecular Properties

Compound Name2-[(1R)-1-aminoethyl]-6-fluoro-N-methyl-N-pent-4-enylaniline
PubChem CID114058799
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name2-[(1R)-1-aminoethyl]-6-fluoro-N-methyl-N-pent-4-enylaniline
SMILESC=CCCCN(C)c1c(F)cccc1[C@@H](C)N
InChIInChI=1S/C14H21FN2/c1-4-5-6-10-17(3)14-12(11(2)16)8-7-9-13(14)15/h4,7-9,11H,1,5-6,10,16H2,2-3H3/t11-/m1/s1
InChIKeyHYSNJRAVBKSLID-LLVKDONJSA-N
XLogP3.25
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(1S)-1-aminoethyl]-4-fluoro-N,5-dimethyl-N-pent-4-enylaniline
CID 104869696
1-[3-fluoro-2-[methyl(pentyl)amino]phenyl]ethanol
CID 114059089
5-[(1S)-1-aminoethyl]-N-methyl-N-pent-4-enylpyridin-2-amine
CID 104869689
1-(2-bromo-3-fluorophenyl)hex-5-en-1-amine
CID 104987122
N-[2-[(1S)-1-aminoethyl]-6-fluorophenyl]-N-methyloxan-4-amine
CID 114058651
1-(2,3-difluorophenyl)-N-ethylhex-5-en-1-amine
CID 104986798
1-(2,6-difluorophenyl)hept-6-en-2-amine
CID 104986671
4-(aminomethyl)-3-fluoro-N-methyl-N-pent-4-enylpyridin-2-amine
CID 105390426
N-ethyl-2-[1-(ethylamino)ethyl]-6-fluoro-N-prop-2-enylaniline
CID 114058766
2-fluoro-N-methyl-N-pent-4-enylbenzenesulfonamide
CID 115640458
2-(1-aminoethyl)-3-fluoro-N-methyl-N-pentylaniline
CID 43295036
(1R)-1-[4-[methyl(pent-4-enyl)amino]phenyl]ethanol
CID 104869719

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-aminoethyl]-6-fluoro-N-methyl-N-pent-4-enylaniline?
The IUPAC name of 2-[(1R)-1-aminoethyl]-6-fluoro-N-methyl-N-pent-4-enylaniline (CID 114058799) is 2-[(1R)-1-aminoethyl]-6-fluoro-N-methyl-N-pent-4-enylaniline.
What is the SMILES notation for 2-[(1R)-1-aminoethyl]-6-fluoro-N-methyl-N-pent-4-enylaniline?
The canonical SMILES for 2-[(1R)-1-aminoethyl]-6-fluoro-N-methyl-N-pent-4-enylaniline is C=CCCCN(C)c1c(F)cccc1[C@@H](C)N.
What is the InChIKey of 2-[(1R)-1-aminoethyl]-6-fluoro-N-methyl-N-pent-4-enylaniline?
The InChIKey is HYSNJRAVBKSLID-LLVKDONJSA-N. The full InChI is InChI=1S/C14H21FN2/c1-4-5-6-10-17(3)14-12(11(2)16)8-7-9-13(14)15/h4,7-9,11H,1,5-6,10,16H2,2-3H3/t11-/m1/s1.
What are the key properties of 2-[(1R)-1-aminoethyl]-6-fluoro-N-methyl-N-pent-4-enylaniline?
2-[(1R)-1-aminoethyl]-6-fluoro-N-methyl-N-pent-4-enylaniline has a molecular weight of 236.33 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-aminoethyl]-6-fluoro-N-methyl-N-pent-4-enylaniline is sourced from PubChem (CID 114058799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).