2-[(1S)-1-amino-2-cyclopropylethyl]-4-fluoroaniline

C11H15FN2 — CID 130820768

IUPAC2-[(1S)-1-amino-2-cyclopropylethyl]-4-fluoroaniline
SMILESNc1ccc(F)cc1[C@@H](N)CC1CC1
InChIInChI=1S/C11H15FN2/c12-8-3-4-10(13)9(6-8)11(14)5-7-1-2-7/h3-4,6-7,11H,1-2,5,13-14H2/t11-/m0/s1
InChIKeyYPLMWIZKGAXEBY-NSHDSACASA-N
MW194.25 g/mol
LogP2.21
Rot. Bonds3

About 2-[(1S)-1-amino-2-cyclopropylethyl]-4-fluoroaniline

2-[(1S)-1-amino-2-cyclopropylethyl]-4-fluoroaniline (PubChem CID 130820768) has the molecular formula C11H15FN2 and a molecular weight of 194.25 g/mol. Its IUPAC name is 2-[(1S)-1-amino-2-cyclopropylethyl]-4-fluoroaniline.

Molecular Properties

Compound Name2-[(1S)-1-amino-2-cyclopropylethyl]-4-fluoroaniline
PubChem CID130820768
Molecular FormulaC11H15FN2
Molecular Weight194.25 g/mol
Exact Mass194.12
IUPAC Name2-[(1S)-1-amino-2-cyclopropylethyl]-4-fluoroaniline
SMILESNc1ccc(F)cc1[C@@H](N)CC1CC1
InChIInChI=1S/C11H15FN2/c12-8-3-4-10(13)9(6-8)11(14)5-7-1-2-7/h3-4,6-7,11H,1-2,5,13-14H2/t11-/m0/s1
InChIKeyYPLMWIZKGAXEBY-NSHDSACASA-N
XLogP2.21
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R)-2-cyclopropyl-1-[5-fluoro-2-(trifluoromethyl)phenyl]ethanamine
CID 171209096
(1R)-2-cyclopropyl-1-(4-fluorophenyl)ethanamine
CID 94248777
2-cyclopropyl-1-(4-fluorophenyl)ethanamine;hydrochloride
CID 131637709
2-cyclopropyl-1-(3,5-difluorophenyl)ethanamine
CID 55272126
2-[(1S)-1-aminobutyl]-4-fluoroaniline
CID 130859699
1-(2,4-difluorophenyl)-2-(thian-4-yl)ethanamine
CID 105143676
2-[(1R)-1-aminopentyl]-4-fluoroaniline;dihydrochloride
CID 162344534
(1S)-1-(2-chloro-5-fluoro-3-pyridinyl)-2-cyclopropylethanamine
CID 130632445
2-cyclopropyl-1-(2,3,4-trifluorophenyl)ethanamine
CID 79016147
2-cyclopropyl-1-(2-fluoro-5-methylphenyl)ethanamine
CID 55297664
(1S)-2-cyclopropyl-1-(2,3-difluorophenyl)ethanamine
CID 131113466
(1R)-2-cyclopropyl-1-(2,3-difluoro-4-methylphenyl)ethanamine
CID 131568971

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-amino-2-cyclopropylethyl]-4-fluoroaniline?
The IUPAC name of 2-[(1S)-1-amino-2-cyclopropylethyl]-4-fluoroaniline (CID 130820768) is 2-[(1S)-1-amino-2-cyclopropylethyl]-4-fluoroaniline.
What is the SMILES notation for 2-[(1S)-1-amino-2-cyclopropylethyl]-4-fluoroaniline?
The canonical SMILES for 2-[(1S)-1-amino-2-cyclopropylethyl]-4-fluoroaniline is Nc1ccc(F)cc1[C@@H](N)CC1CC1.
What is the InChIKey of 2-[(1S)-1-amino-2-cyclopropylethyl]-4-fluoroaniline?
The InChIKey is YPLMWIZKGAXEBY-NSHDSACASA-N. The full InChI is InChI=1S/C11H15FN2/c12-8-3-4-10(13)9(6-8)11(14)5-7-1-2-7/h3-4,6-7,11H,1-2,5,13-14H2/t11-/m0/s1.
What are the key properties of 2-[(1S)-1-amino-2-cyclopropylethyl]-4-fluoroaniline?
2-[(1S)-1-amino-2-cyclopropylethyl]-4-fluoroaniline has a molecular weight of 194.25 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-amino-2-cyclopropylethyl]-4-fluoroaniline is sourced from PubChem (CID 130820768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).