1-cyclopropyl-N-[1-(4-fluoro-3-methylphenyl)ethyl]ethanamine;hydrochloride

C14H21ClFN — CID 115683937

IUPAC1-cyclopropyl-N-[1-(4-fluoro-3-methylphenyl)ethyl]ethanamine;hydrochloride
SMILESCc1cc(C(C)NC(C)C2CC2)ccc1F.Cl
InChIInChI=1S/C14H20FN.ClH/c1-9-8-13(6-7-14(9)15)11(3)16-10(2)12-4-5-12;/h6-8,10-12,16H,4-5H2,1-3H3;1H
InChIKeyRTKWZFPWSHXMHM-UHFFFAOYSA-N
MW257.78 g/mol
LogP4.01
Rot. Bonds4

About 1-cyclopropyl-N-[1-(4-fluoro-3-methylphenyl)ethyl]ethanamine;hydrochloride

1-cyclopropyl-N-[1-(4-fluoro-3-methylphenyl)ethyl]ethanamine;hydrochloride (PubChem CID 115683937) has the molecular formula C14H21ClFN and a molecular weight of 257.78 g/mol. Its IUPAC name is 1-cyclopropyl-N-[1-(4-fluoro-3-methylphenyl)ethyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name1-cyclopropyl-N-[1-(4-fluoro-3-methylphenyl)ethyl]ethanamine;hydrochloride
PubChem CID115683937
Molecular FormulaC14H21ClFN
Molecular Weight257.78 g/mol
Exact Mass257.13
IUPAC Name1-cyclopropyl-N-[1-(4-fluoro-3-methylphenyl)ethyl]ethanamine;hydrochloride
SMILESCc1cc(C(C)NC(C)C2CC2)ccc1F.Cl
InChIInChI=1S/C14H20FN.ClH/c1-9-8-13(6-7-14(9)15)11(3)16-10(2)12-4-5-12;/h6-8,10-12,16H,4-5H2,1-3H3;1H
InChIKeyRTKWZFPWSHXMHM-UHFFFAOYSA-N
XLogP4.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.78
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(4-bromo-3-fluorophenyl)ethyl]-1-cyclopropylethanamine
CID 115733485
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-cyclopropylethanamine
CID 81352705
(1S)-1-cycloheptyl-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]ethanamine
CID 83059190
(1R,2S)-2-amino-1-cyclopropyl-2-(4-fluoro-3-methylphenyl)ethanol
CID 171267876
(4-fluoro-3-methylphenyl)-(4-propan-2-ylcyclohexyl)methanol
CID 65424893
(1S)-N-[(1S)-1-(3-bromophenyl)ethyl]-1-cyclopropylethanamine
CID 93102752
2-cyclopropyl-2-(4-fluoro-3-methylphenyl)ethanamine
CID 55269434
1-cyclopropyl-N-[1-(4-methyl-3-nitrophenyl)ethyl]ethanamine
CID 43533210
1-cyclohexyl-N-[(1S)-1-(4-fluorophenyl)ethyl]ethanamine
CID 81348448
N-[1-(4-fluoro-3-methylphenyl)ethyl]-1-methoxypropan-2-amine
CID 115683511
1-cyclopentyl-N-[1-(4-methylphenyl)ethyl]ethanamine
CID 55097109
(1R)-N-[(S)-cyclopropyl-(4-fluoro-3-methylphenyl)methyl]-1-pyridin-2-ylethanamine
CID 129471403

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[1-(4-fluoro-3-methylphenyl)ethyl]ethanamine;hydrochloride?
The IUPAC name of 1-cyclopropyl-N-[1-(4-fluoro-3-methylphenyl)ethyl]ethanamine;hydrochloride (CID 115683937) is 1-cyclopropyl-N-[1-(4-fluoro-3-methylphenyl)ethyl]ethanamine;hydrochloride.
What is the SMILES notation for 1-cyclopropyl-N-[1-(4-fluoro-3-methylphenyl)ethyl]ethanamine;hydrochloride?
The canonical SMILES for 1-cyclopropyl-N-[1-(4-fluoro-3-methylphenyl)ethyl]ethanamine;hydrochloride is Cc1cc(C(C)NC(C)C2CC2)ccc1F.Cl.
What is the InChIKey of 1-cyclopropyl-N-[1-(4-fluoro-3-methylphenyl)ethyl]ethanamine;hydrochloride?
The InChIKey is RTKWZFPWSHXMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN.ClH/c1-9-8-13(6-7-14(9)15)11(3)16-10(2)12-4-5-12;/h6-8,10-12,16H,4-5H2,1-3H3;1H.
What are the key properties of 1-cyclopropyl-N-[1-(4-fluoro-3-methylphenyl)ethyl]ethanamine;hydrochloride?
1-cyclopropyl-N-[1-(4-fluoro-3-methylphenyl)ethyl]ethanamine;hydrochloride has a molecular weight of 257.78 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[1-(4-fluoro-3-methylphenyl)ethyl]ethanamine;hydrochloride is sourced from PubChem (CID 115683937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).