3-fluoro-N-[(1S)-1-(4-methoxyphenyl)ethyl]propan-1-amine

C12H18FNO — CID 81370417

IUPAC3-fluoro-N-[(1S)-1-(4-methoxyphenyl)ethyl]propan-1-amine
SMILESCOc1ccc([C@H](C)NCCCF)cc1
InChIInChI=1S/C12H18FNO/c1-10(14-9-3-8-13)11-4-6-12(15-2)7-5-11/h4-7,10,14H,3,8-9H2,1-2H3/t10-/m0/s1
InChIKeySERHFTZUWYNLKU-JTQLQIEISA-N
MW211.28 g/mol
LogP2.71
Rot. Bonds6

About 3-fluoro-N-[(1S)-1-(4-methoxyphenyl)ethyl]propan-1-amine

3-fluoro-N-[(1S)-1-(4-methoxyphenyl)ethyl]propan-1-amine (PubChem CID 81370417) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 3-fluoro-N-[(1S)-1-(4-methoxyphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-fluoro-N-[(1S)-1-(4-methoxyphenyl)ethyl]propan-1-amine
PubChem CID81370417
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name3-fluoro-N-[(1S)-1-(4-methoxyphenyl)ethyl]propan-1-amine
SMILESCOc1ccc([C@H](C)NCCCF)cc1
InChIInChI=1S/C12H18FNO/c1-10(14-9-3-8-13)11-4-6-12(15-2)7-5-11/h4-7,10,14H,3,8-9H2,1-2H3/t10-/m0/s1
InChIKeySERHFTZUWYNLKU-JTQLQIEISA-N
XLogP2.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methylpentan-1-amine
CID 83155306
3-[1-(4-methoxyphenyl)ethylamino]propan-1-ol
CID 43206530
4-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]butan-1-ol
CID 81371223
N-[(1S)-1-(4-methoxyphenyl)ethyl]-3-methylsulfanylpropan-1-amine
CID 81370452
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4,4-dimethylpentan-1-amine
CID 114209430
3-butoxy-N-[1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 115704468
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-phenylpropan-1-amine
CID 29042009
3-ethylsulfanyl-N-[1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 115900079
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 81370484
3-fluoro-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]propan-1-amine
CID 115894721
3-(4-methoxyphenoxy)-N-[(1R)-1-phenylethyl]propan-1-amine
CID 2183586
3-imidazol-1-yl-N-[(1R)-1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 28993976

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(1S)-1-(4-methoxyphenyl)ethyl]propan-1-amine?
The IUPAC name of 3-fluoro-N-[(1S)-1-(4-methoxyphenyl)ethyl]propan-1-amine (CID 81370417) is 3-fluoro-N-[(1S)-1-(4-methoxyphenyl)ethyl]propan-1-amine.
What is the SMILES notation for 3-fluoro-N-[(1S)-1-(4-methoxyphenyl)ethyl]propan-1-amine?
The canonical SMILES for 3-fluoro-N-[(1S)-1-(4-methoxyphenyl)ethyl]propan-1-amine is COc1ccc([C@H](C)NCCCF)cc1.
What is the InChIKey of 3-fluoro-N-[(1S)-1-(4-methoxyphenyl)ethyl]propan-1-amine?
The InChIKey is SERHFTZUWYNLKU-JTQLQIEISA-N. The full InChI is InChI=1S/C12H18FNO/c1-10(14-9-3-8-13)11-4-6-12(15-2)7-5-11/h4-7,10,14H,3,8-9H2,1-2H3/t10-/m0/s1.
What are the key properties of 3-fluoro-N-[(1S)-1-(4-methoxyphenyl)ethyl]propan-1-amine?
3-fluoro-N-[(1S)-1-(4-methoxyphenyl)ethyl]propan-1-amine has a molecular weight of 211.28 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(1S)-1-(4-methoxyphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 81370417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).