2-[(1R)-1-aminoethyl]-N-cyclopropyl-4-fluoro-N-propylaniline

C14H21FN2 — CID 55190464

IUPAC2-[(1R)-1-aminoethyl]-N-cyclopropyl-4-fluoro-N-propylaniline
SMILESCCCN(c1ccc(F)cc1[C@@H](C)N)C1CC1
InChIInChI=1S/C14H21FN2/c1-3-8-17(12-5-6-12)14-7-4-11(15)9-13(14)10(2)16/h4,7,9-10,12H,3,5-6,8,16H2,1-2H3/t10-/m1/s1
InChIKeyHGISIGRORPYPAI-SNVBAGLBSA-N
MW236.33 g/mol
LogP3.22
Rot. Bonds5

About 2-[(1R)-1-aminoethyl]-N-cyclopropyl-4-fluoro-N-propylaniline

2-[(1R)-1-aminoethyl]-N-cyclopropyl-4-fluoro-N-propylaniline (PubChem CID 55190464) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 2-[(1R)-1-aminoethyl]-N-cyclopropyl-4-fluoro-N-propylaniline.

Molecular Properties

Compound Name2-[(1R)-1-aminoethyl]-N-cyclopropyl-4-fluoro-N-propylaniline
PubChem CID55190464
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name2-[(1R)-1-aminoethyl]-N-cyclopropyl-4-fluoro-N-propylaniline
SMILESCCCN(c1ccc(F)cc1[C@@H](C)N)C1CC1
InChIInChI=1S/C14H21FN2/c1-3-8-17(12-5-6-12)14-7-4-11(15)9-13(14)10(2)16/h4,7,9-10,12H,3,5-6,8,16H2,1-2H3/t10-/m1/s1
InChIKeyHGISIGRORPYPAI-SNVBAGLBSA-N
XLogP3.22
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1R)-1-aminoethyl]-N-cyclopentyl-N-ethyl-4-fluoroaniline
CID 63368344
N-butyl-N-cyclopropyl-4-fluoro-2-[1-(methylamino)ethyl]aniline
CID 61441356
2-[N-cyclopropyl-2-[1-(ethylamino)ethyl]-4-fluoroanilino]ethanol
CID 54995199
4-[(1S)-1-aminoethyl]-2-chloro-N-cyclopropyl-N-propylaniline
CID 78935924
2-(2-aminoethyl)-N-cyclopropyl-4-fluoro-N-propylaniline
CID 55234833
1-[2-[cyclopropyl(ethyl)amino]-5-fluorophenyl]ethanol
CID 43506129
2-(chloromethyl)-N-cyclopropyl-4-fluoro-N-propylaniline
CID 43313547
2-[(1S)-1-aminoethyl]-N,N-dibutyl-4-fluoroaniline
CID 28983277
N'-[2-[(1R)-1-aminoethyl]-4-fluorophenyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 63368901
(1R)-1-[2-[cyclopentyl(2-hydroxyethyl)amino]-5-fluorophenyl]ethanol
CID 63372730
4-[(1R)-1-aminoethyl]-N-butyl-N-cyclopropyl-2-fluoroaniline
CID 63368751
2-[cyclopropyl(propyl)amino]-5-fluorobenzoic acid
CID 43313053

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-aminoethyl]-N-cyclopropyl-4-fluoro-N-propylaniline?
The IUPAC name of 2-[(1R)-1-aminoethyl]-N-cyclopropyl-4-fluoro-N-propylaniline (CID 55190464) is 2-[(1R)-1-aminoethyl]-N-cyclopropyl-4-fluoro-N-propylaniline.
What is the SMILES notation for 2-[(1R)-1-aminoethyl]-N-cyclopropyl-4-fluoro-N-propylaniline?
The canonical SMILES for 2-[(1R)-1-aminoethyl]-N-cyclopropyl-4-fluoro-N-propylaniline is CCCN(c1ccc(F)cc1[C@@H](C)N)C1CC1.
What is the InChIKey of 2-[(1R)-1-aminoethyl]-N-cyclopropyl-4-fluoro-N-propylaniline?
The InChIKey is HGISIGRORPYPAI-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H21FN2/c1-3-8-17(12-5-6-12)14-7-4-11(15)9-13(14)10(2)16/h4,7,9-10,12H,3,5-6,8,16H2,1-2H3/t10-/m1/s1.
What are the key properties of 2-[(1R)-1-aminoethyl]-N-cyclopropyl-4-fluoro-N-propylaniline?
2-[(1R)-1-aminoethyl]-N-cyclopropyl-4-fluoro-N-propylaniline has a molecular weight of 236.33 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-aminoethyl]-N-cyclopropyl-4-fluoro-N-propylaniline is sourced from PubChem (CID 55190464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).