1-fluoro-5-phenylmethoxypentan-2-amine

C12H18FNO — CID 14499624

IUPAC1-fluoro-5-phenylmethoxypentan-2-amine
SMILESNC(CF)CCCOCc1ccccc1
InChIInChI=1S/C12H18FNO/c13-9-12(14)7-4-8-15-10-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10,14H2
InChIKeySMWKDIKGQVPNLE-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.28
Rot. Bonds7

About 1-fluoro-5-phenylmethoxypentan-2-amine

1-fluoro-5-phenylmethoxypentan-2-amine (PubChem CID 14499624) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 1-fluoro-5-phenylmethoxypentan-2-amine.

Molecular Properties

Compound Name1-fluoro-5-phenylmethoxypentan-2-amine
PubChem CID14499624
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name1-fluoro-5-phenylmethoxypentan-2-amine
SMILESNC(CF)CCCOCc1ccccc1
InChIInChI=1S/C12H18FNO/c13-9-12(14)7-4-8-15-10-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10,14H2
InChIKeySMWKDIKGQVPNLE-UHFFFAOYSA-N
XLogP2.28
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.28
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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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-5-phenylmethoxypentan-2-amine?
The IUPAC name of 1-fluoro-5-phenylmethoxypentan-2-amine (CID 14499624) is 1-fluoro-5-phenylmethoxypentan-2-amine.
What is the SMILES notation for 1-fluoro-5-phenylmethoxypentan-2-amine?
The canonical SMILES for 1-fluoro-5-phenylmethoxypentan-2-amine is NC(CF)CCCOCc1ccccc1.
What is the InChIKey of 1-fluoro-5-phenylmethoxypentan-2-amine?
The InChIKey is SMWKDIKGQVPNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c13-9-12(14)7-4-8-15-10-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10,14H2.
What are the key properties of 1-fluoro-5-phenylmethoxypentan-2-amine?
1-fluoro-5-phenylmethoxypentan-2-amine has a molecular weight of 211.28 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-5-phenylmethoxypentan-2-amine is sourced from PubChem (CID 14499624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).