(2R)-N-butyl-5-fluoro-1,2,3,4-tetrahydronaphthalen-2-amine

C14H20FN — CID 10560954

IUPAC(2R)-N-butyl-5-fluoro-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCCCN[C@@H]1CCc2c(F)cccc2C1
InChIInChI=1S/C14H20FN/c1-2-3-9-16-12-7-8-13-11(10-12)5-4-6-14(13)15/h4-6,12,16H,2-3,7-10H2,1H3/t12-/m1/s1
InChIKeyVXPJDPSEYZZZEM-GFCCVEGCSA-N
MW221.32 g/mol
LogP3.07
Rot. Bonds4

About (2R)-N-butyl-5-fluoro-1,2,3,4-tetrahydronaphthalen-2-amine

(2R)-N-butyl-5-fluoro-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 10560954) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is (2R)-N-butyl-5-fluoro-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name(2R)-N-butyl-5-fluoro-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID10560954
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC Name(2R)-N-butyl-5-fluoro-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCCCN[C@@H]1CCc2c(F)cccc2C1
InChIInChI=1S/C14H20FN/c1-2-3-9-16-12-7-8-13-11(10-12)5-4-6-14(13)15/h4-6,12,16H,2-3,7-10H2,1H3/t12-/m1/s1
InChIKeyVXPJDPSEYZZZEM-GFCCVEGCSA-N
XLogP3.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-butyl-5-fluoro-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of (2R)-N-butyl-5-fluoro-1,2,3,4-tetrahydronaphthalen-2-amine (CID 10560954) is (2R)-N-butyl-5-fluoro-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for (2R)-N-butyl-5-fluoro-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for (2R)-N-butyl-5-fluoro-1,2,3,4-tetrahydronaphthalen-2-amine is CCCCN[C@@H]1CCc2c(F)cccc2C1.
What is the InChIKey of (2R)-N-butyl-5-fluoro-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is VXPJDPSEYZZZEM-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20FN/c1-2-3-9-16-12-7-8-13-11(10-12)5-4-6-14(13)15/h4-6,12,16H,2-3,7-10H2,1H3/t12-/m1/s1.
What are the key properties of (2R)-N-butyl-5-fluoro-1,2,3,4-tetrahydronaphthalen-2-amine?
(2R)-N-butyl-5-fluoro-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 221.32 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-butyl-5-fluoro-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 10560954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).