2-[(1S)-1-aminoethyl]-N-cyclopropyl-3-fluoro-N-(2-methylpropyl)aniline

C15H23FN2 — CID 55189077

IUPAC2-[(1S)-1-aminoethyl]-N-cyclopropyl-3-fluoro-N-(2-methylpropyl)aniline
SMILESCC(C)CN(c1cccc(F)c1[C@H](C)N)C1CC1
InChIInChI=1S/C15H23FN2/c1-10(2)9-18(12-7-8-12)14-6-4-5-13(16)15(14)11(3)17/h4-6,10-12H,7-9,17H2,1-3H3/t11-/m0/s1
InChIKeyHYPIIIFXNGJVSQ-NSHDSACASA-N
MW250.36 g/mol
LogP3.47
Rot. Bonds5

About 2-[(1S)-1-aminoethyl]-N-cyclopropyl-3-fluoro-N-(2-methylpropyl)aniline

2-[(1S)-1-aminoethyl]-N-cyclopropyl-3-fluoro-N-(2-methylpropyl)aniline (PubChem CID 55189077) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is 2-[(1S)-1-aminoethyl]-N-cyclopropyl-3-fluoro-N-(2-methylpropyl)aniline.

Molecular Properties

Compound Name2-[(1S)-1-aminoethyl]-N-cyclopropyl-3-fluoro-N-(2-methylpropyl)aniline
PubChem CID55189077
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name2-[(1S)-1-aminoethyl]-N-cyclopropyl-3-fluoro-N-(2-methylpropyl)aniline
SMILESCC(C)CN(c1cccc(F)c1[C@H](C)N)C1CC1
InChIInChI=1S/C15H23FN2/c1-10(2)9-18(12-7-8-12)14-6-4-5-13(16)15(14)11(3)17/h4-6,10-12H,7-9,17H2,1-3H3/t11-/m0/s1
InChIKeyHYPIIIFXNGJVSQ-NSHDSACASA-N
XLogP3.47
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-aminoethyl)-N-cyclopropyl-N-ethyl-3-fluoroaniline
CID 43264288
2-[(1S)-1-aminoethyl]-N-cyclopropyl-3-fluoro-N-(2,2,2-trifluoroethyl)aniline
CID 55189954
2-[(1R)-1-aminoethyl]-N-cyclobutyl-3-fluoro-N-methylaniline
CID 104873538
2-[(1R)-1-aminoethyl]-N-cyclopropyl-N-(2-methylpropyl)aniline
CID 78935268
N-[2-(1-aminoethyl)-3-fluorophenyl]-N-methylcycloheptanamine
CID 43614150
(1S)-1-[2-[cyclopropyl(ethyl)amino]-6-fluorophenyl]ethanol
CID 78939475
1-N-cyclopropyl-3-fluoro-1-N-(3-methylbutyl)benzene-1,2-diamine
CID 78973859
(1R)-1-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-6-fluorophenyl]ethanol
CID 63372772
2-(2-aminoethyl)-3-chloro-N-cyclopropyl-N-(2-methylpropyl)aniline
CID 63786189
2-[(1R)-1-aminoethyl]-3-fluoro-N-methyl-N-pentan-3-ylaniline
CID 63369402
2-amino-3-[cyclopropyl(2-methylpropyl)amino]benzamide
CID 113332803
4-(1-aminoethyl)-N-cyclopropyl-N-(2-methylpropyl)aniline
CID 55001779

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-aminoethyl]-N-cyclopropyl-3-fluoro-N-(2-methylpropyl)aniline?
The IUPAC name of 2-[(1S)-1-aminoethyl]-N-cyclopropyl-3-fluoro-N-(2-methylpropyl)aniline (CID 55189077) is 2-[(1S)-1-aminoethyl]-N-cyclopropyl-3-fluoro-N-(2-methylpropyl)aniline.
What is the SMILES notation for 2-[(1S)-1-aminoethyl]-N-cyclopropyl-3-fluoro-N-(2-methylpropyl)aniline?
The canonical SMILES for 2-[(1S)-1-aminoethyl]-N-cyclopropyl-3-fluoro-N-(2-methylpropyl)aniline is CC(C)CN(c1cccc(F)c1[C@H](C)N)C1CC1.
What is the InChIKey of 2-[(1S)-1-aminoethyl]-N-cyclopropyl-3-fluoro-N-(2-methylpropyl)aniline?
The InChIKey is HYPIIIFXNGJVSQ-NSHDSACASA-N. The full InChI is InChI=1S/C15H23FN2/c1-10(2)9-18(12-7-8-12)14-6-4-5-13(16)15(14)11(3)17/h4-6,10-12H,7-9,17H2,1-3H3/t11-/m0/s1.
What are the key properties of 2-[(1S)-1-aminoethyl]-N-cyclopropyl-3-fluoro-N-(2-methylpropyl)aniline?
2-[(1S)-1-aminoethyl]-N-cyclopropyl-3-fluoro-N-(2-methylpropyl)aniline has a molecular weight of 250.36 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-aminoethyl]-N-cyclopropyl-3-fluoro-N-(2-methylpropyl)aniline is sourced from PubChem (CID 55189077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).