1-fluoropropane;methanesulfinic acid;N-methyl-1-phenylpropan-2-amine

C14H26FNO2S — CID 143236357

IUPAC1-fluoropropane;methanesulfinic acid;N-methyl-1-phenylpropan-2-amine
SMILESCCCF.CNC(C)Cc1ccccc1.CS(=O)O
InChIInChI=1S/C10H15N.C3H7F.CH4O2S/c1-9(11-2)8-10-6-4-3-5-7-10;1-2-3-4;1-4(2)3/h3-7,9,11H,8H2,1-2H3;2-3H2,1H3;1H3,(H,2,3)
InChIKeyPSBKVZWSGIPIEM-UHFFFAOYSA-N
MW291.43 g/mol
LogP3.04
Rot. Bonds4

About 1-fluoropropane;methanesulfinic acid;N-methyl-1-phenylpropan-2-amine

1-fluoropropane;methanesulfinic acid;N-methyl-1-phenylpropan-2-amine (PubChem CID 143236357) has the molecular formula C14H26FNO2S and a molecular weight of 291.43 g/mol. Its IUPAC name is 1-fluoropropane;methanesulfinic acid;N-methyl-1-phenylpropan-2-amine.

Molecular Properties

Compound Name1-fluoropropane;methanesulfinic acid;N-methyl-1-phenylpropan-2-amine
PubChem CID143236357
Molecular FormulaC14H26FNO2S
Molecular Weight291.43 g/mol
Exact Mass291.17
IUPAC Name1-fluoropropane;methanesulfinic acid;N-methyl-1-phenylpropan-2-amine
SMILESCCCF.CNC(C)Cc1ccccc1.CS(=O)O
InChIInChI=1S/C10H15N.C3H7F.CH4O2S/c1-9(11-2)8-10-6-4-3-5-7-10;1-2-3-4;1-4(2)3/h3-7,9,11H,8H2,1-2H3;2-3H2,1H3;1H3,(H,2,3)
InChIKeyPSBKVZWSGIPIEM-UHFFFAOYSA-N
XLogP3.04
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.43
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-phenylpropan-2-amine
CID 118309477
potassium;hydride;N-methyl-1-phenylpropan-2-amine
CID 175165101
(2S)-N-methyl-1-phenylpropan-2-amine;1,4-xylene
CID 174875624
ethyl dihydrogen phosphate;N-methyl-1-phenylpropan-2-amine
CID 69021871
azane;dichloromethane;(2S)-N-methyl-1-phenylpropan-2-amine;hydrate;hydrochloride
CID 173052639
N-methyl-1-(4-phenylphenyl)propan-2-amine
CID 82540674
N-[(2S)-1-phenylpropan-2-yl]propanamide
CID 102304952
1-methyl-2-(1-phenylpropan-2-yl)hydrazine
CID 26556
acetic acid;N-ethyl-1-phenylpropan-2-amine
CID 22214099
(1-phenylpropan-2-ylamino)methanol
CID 54463712
N-methyl-2-(1-phenylpropan-2-ylamino)propanamide
CID 63010546
2-bromo-2-methyl-N-(1-phenylpropan-2-yl)propanamide
CID 115649433

Frequently Asked Questions

What is the IUPAC name of 1-fluoropropane;methanesulfinic acid;N-methyl-1-phenylpropan-2-amine?
The IUPAC name of 1-fluoropropane;methanesulfinic acid;N-methyl-1-phenylpropan-2-amine (CID 143236357) is 1-fluoropropane;methanesulfinic acid;N-methyl-1-phenylpropan-2-amine.
What is the SMILES notation for 1-fluoropropane;methanesulfinic acid;N-methyl-1-phenylpropan-2-amine?
The canonical SMILES for 1-fluoropropane;methanesulfinic acid;N-methyl-1-phenylpropan-2-amine is CCCF.CNC(C)Cc1ccccc1.CS(=O)O.
What is the InChIKey of 1-fluoropropane;methanesulfinic acid;N-methyl-1-phenylpropan-2-amine?
The InChIKey is PSBKVZWSGIPIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N.C3H7F.CH4O2S/c1-9(11-2)8-10-6-4-3-5-7-10;1-2-3-4;1-4(2)3/h3-7,9,11H,8H2,1-2H3;2-3H2,1H3;1H3,(H,2,3).
What are the key properties of 1-fluoropropane;methanesulfinic acid;N-methyl-1-phenylpropan-2-amine?
1-fluoropropane;methanesulfinic acid;N-methyl-1-phenylpropan-2-amine has a molecular weight of 291.43 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoropropane;methanesulfinic acid;N-methyl-1-phenylpropan-2-amine is sourced from PubChem (CID 143236357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).