1-fluoro-4-phenylmethoxybutan-2-amine

C11H16FNO — CID 172858311

IUPAC1-fluoro-4-phenylmethoxybutan-2-amine
SMILESNC(CF)CCOCc1ccccc1
InChIInChI=1S/C11H16FNO/c12-8-11(13)6-7-14-9-10-4-2-1-3-5-10/h1-5,11H,6-9,13H2
InChIKeyYZZLTSQWPNNPRW-UHFFFAOYSA-N
MW197.25 g/mol
LogP1.89
Rot. Bonds6

About 1-fluoro-4-phenylmethoxybutan-2-amine

1-fluoro-4-phenylmethoxybutan-2-amine (PubChem CID 172858311) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 1-fluoro-4-phenylmethoxybutan-2-amine.

Molecular Properties

Compound Name1-fluoro-4-phenylmethoxybutan-2-amine
PubChem CID172858311
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name1-fluoro-4-phenylmethoxybutan-2-amine
SMILESNC(CF)CCOCc1ccccc1
InChIInChI=1S/C11H16FNO/c12-8-11(13)6-7-14-9-10-4-2-1-3-5-10/h1-5,11H,6-9,13H2
InChIKeyYZZLTSQWPNNPRW-UHFFFAOYSA-N
XLogP1.89
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 51.89
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

1-amino-3-phenylmethoxypropan-1-ol
CID 141197140
2-iodoethoxymethylbenzene
CID 10355314
[(3R)-3-fluoro-3-iodopropoxy]methylbenzene
CID 125475539
(2R)-2-amino-4-phenylmethoxybutanoic acid
CID 51340689
1-methoxy-6-phenylmethoxyhexan-2-amine
CID 130588590
ethane-1,2-diimine;4-phenylmethoxybutane-1,2-diamine
CID 145217447
1,1,1-trifluoro-5-phenylmethoxypentan-2-amine
CID 12008692
(2R)-2-fluoro-4-phenylmethoxybutan-1-ol
CID 129405204
O-[(2S)-1,4-bis(phenylmethoxy)butan-2-yl]hydroxylamine
CID 14814233
1-fluoro-5-phenylmethoxypentan-2-ol
CID 14003295
(2S)-1,4-bis(phenylmethoxy)butan-2-ol
CID 14814227
(3-methyl-4-phenylbutoxy)methylbenzene
CID 86049172

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-phenylmethoxybutan-2-amine?
The IUPAC name of 1-fluoro-4-phenylmethoxybutan-2-amine (CID 172858311) is 1-fluoro-4-phenylmethoxybutan-2-amine.
What is the SMILES notation for 1-fluoro-4-phenylmethoxybutan-2-amine?
The canonical SMILES for 1-fluoro-4-phenylmethoxybutan-2-amine is NC(CF)CCOCc1ccccc1.
What is the InChIKey of 1-fluoro-4-phenylmethoxybutan-2-amine?
The InChIKey is YZZLTSQWPNNPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c12-8-11(13)6-7-14-9-10-4-2-1-3-5-10/h1-5,11H,6-9,13H2.
What are the key properties of 1-fluoro-4-phenylmethoxybutan-2-amine?
1-fluoro-4-phenylmethoxybutan-2-amine has a molecular weight of 197.25 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-phenylmethoxybutan-2-amine is sourced from PubChem (CID 172858311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).