(1S)-1-(2-ethyl-5-fluorophenyl)ethanamine

C10H14FN — CID 130619359

IUPAC(1S)-1-(2-ethyl-5-fluorophenyl)ethanamine
SMILESCCc1ccc(F)cc1[C@H](C)N
InChIInChI=1S/C10H14FN/c1-3-8-4-5-9(11)6-10(8)7(2)12/h4-7H,3,12H2,1-2H3/t7-/m0/s1
InChIKeyRVLPGWITUANFHP-ZETCQYMHSA-N
MW167.23 g/mol
LogP2.41
Rot. Bonds2

About (1S)-1-(2-ethyl-5-fluorophenyl)ethanamine

(1S)-1-(2-ethyl-5-fluorophenyl)ethanamine (PubChem CID 130619359) has the molecular formula C10H14FN and a molecular weight of 167.23 g/mol. Its IUPAC name is (1S)-1-(2-ethyl-5-fluorophenyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(2-ethyl-5-fluorophenyl)ethanamine
PubChem CID130619359
Molecular FormulaC10H14FN
Molecular Weight167.23 g/mol
Exact Mass167.11
IUPAC Name(1S)-1-(2-ethyl-5-fluorophenyl)ethanamine
SMILESCCc1ccc(F)cc1[C@H](C)N
InChIInChI=1S/C10H14FN/c1-3-8-4-5-9(11)6-10(8)7(2)12/h4-7H,3,12H2,1-2H3/t7-/m0/s1
InChIKeyRVLPGWITUANFHP-ZETCQYMHSA-N
XLogP2.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-ethyl-5-fluorophenyl)butan-1-amine
CID 55268868
1-(2-ethyl-5-fluorophenyl)-2-methoxyethanamine
CID 55273260
(R)-cyclopropyl-(2-ethyl-5-fluorophenyl)methanamine
CID 131122532
(3S)-3-amino-3-(2-ethyl-5-fluorophenyl)propanenitrile
CID 130658086
(1S)-1-(2,5-difluorophenyl)ethanamine;hydrochloride
CID 53484729
3-[(1R)-1-aminoethyl]-4-ethylbenzoic acid
CID 55295793
1-(2-bromo-5-fluorophenyl)ethanamine
CID 83350018
1-(4-fluoro-2-methylphenyl)ethanamine
CID 62791014
1-[5-fluoro-2-(4-methylpentan-2-yloxy)phenyl]ethanamine
CID 43189068
(1R)-1-(2-butylsulfanyl-5-fluorophenyl)ethanamine
CID 63370280
(1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanamine
CID 79021753
2-(1-aminoethyl)-4-fluoro-N,N-dimethylaniline
CID 43188896

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-ethyl-5-fluorophenyl)ethanamine?
The IUPAC name of (1S)-1-(2-ethyl-5-fluorophenyl)ethanamine (CID 130619359) is (1S)-1-(2-ethyl-5-fluorophenyl)ethanamine.
What is the SMILES notation for (1S)-1-(2-ethyl-5-fluorophenyl)ethanamine?
The canonical SMILES for (1S)-1-(2-ethyl-5-fluorophenyl)ethanamine is CCc1ccc(F)cc1[C@H](C)N.
What is the InChIKey of (1S)-1-(2-ethyl-5-fluorophenyl)ethanamine?
The InChIKey is RVLPGWITUANFHP-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H14FN/c1-3-8-4-5-9(11)6-10(8)7(2)12/h4-7H,3,12H2,1-2H3/t7-/m0/s1.
What are the key properties of (1S)-1-(2-ethyl-5-fluorophenyl)ethanamine?
(1S)-1-(2-ethyl-5-fluorophenyl)ethanamine has a molecular weight of 167.23 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-ethyl-5-fluorophenyl)ethanamine is sourced from PubChem (CID 130619359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).