(1S)-2-cyclopropyl-1-(3-fluoro-4-methylphenyl)ethanamine

C12H16FN — CID 69453674

IUPAC(1S)-2-cyclopropyl-1-(3-fluoro-4-methylphenyl)ethanamine
SMILESCc1ccc([C@@H](N)CC2CC2)cc1F
InChIInChI=1S/C12H16FN/c1-8-2-5-10(7-11(8)13)12(14)6-9-3-4-9/h2,5,7,9,12H,3-4,6,14H2,1H3/t12-/m0/s1
InChIKeyNQCCWXKFKYSSBV-LBPRGKRZSA-N
MW193.26 g/mol
LogP2.93
Rot. Bonds3

About (1S)-2-cyclopropyl-1-(3-fluoro-4-methylphenyl)ethanamine

(1S)-2-cyclopropyl-1-(3-fluoro-4-methylphenyl)ethanamine (PubChem CID 69453674) has the molecular formula C12H16FN and a molecular weight of 193.26 g/mol. Its IUPAC name is (1S)-2-cyclopropyl-1-(3-fluoro-4-methylphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-2-cyclopropyl-1-(3-fluoro-4-methylphenyl)ethanamine
PubChem CID69453674
Molecular FormulaC12H16FN
Molecular Weight193.26 g/mol
Exact Mass193.13
IUPAC Name(1S)-2-cyclopropyl-1-(3-fluoro-4-methylphenyl)ethanamine
SMILESCc1ccc([C@@H](N)CC2CC2)cc1F
InChIInChI=1S/C12H16FN/c1-8-2-5-10(7-11(8)13)12(14)6-9-3-4-9/h2,5,7,9,12H,3-4,6,14H2,1H3/t12-/m0/s1
InChIKeyNQCCWXKFKYSSBV-LBPRGKRZSA-N
XLogP2.93
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.26
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

CID 5530
CID 5530
CID 7408
CID 7408
CID 19493
CID 19493
CID 75818
CID 75818
CID 643189
CID 643189
CID 26070
CID 26070
CID 66035
CID 66035
CID 199116
CID 199116
CID 2723716
CID 2723716
CID 76751
CID 76751
CID 9986
CID 9986
CID 577386
CID 577386

Frequently Asked Questions

What is the IUPAC name of (1S)-2-cyclopropyl-1-(3-fluoro-4-methylphenyl)ethanamine?
The IUPAC name of (1S)-2-cyclopropyl-1-(3-fluoro-4-methylphenyl)ethanamine (CID 69453674) is (1S)-2-cyclopropyl-1-(3-fluoro-4-methylphenyl)ethanamine.
What is the SMILES notation for (1S)-2-cyclopropyl-1-(3-fluoro-4-methylphenyl)ethanamine?
The canonical SMILES for (1S)-2-cyclopropyl-1-(3-fluoro-4-methylphenyl)ethanamine is Cc1ccc([C@@H](N)CC2CC2)cc1F.
What is the InChIKey of (1S)-2-cyclopropyl-1-(3-fluoro-4-methylphenyl)ethanamine?
The InChIKey is NQCCWXKFKYSSBV-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H16FN/c1-8-2-5-10(7-11(8)13)12(14)6-9-3-4-9/h2,5,7,9,12H,3-4,6,14H2,1H3/t12-/m0/s1.
What are the key properties of (1S)-2-cyclopropyl-1-(3-fluoro-4-methylphenyl)ethanamine?
(1S)-2-cyclopropyl-1-(3-fluoro-4-methylphenyl)ethanamine has a molecular weight of 193.26 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-cyclopropyl-1-(3-fluoro-4-methylphenyl)ethanamine is sourced from PubChem (CID 69453674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).