1,1-difluoro-N-(1-phenylmethoxypropan-2-yl)propan-2-amine

C13H19F2NO — CID 130950125

IUPAC1,1-difluoro-N-(1-phenylmethoxypropan-2-yl)propan-2-amine
SMILESCC(COCc1ccccc1)NC(C)C(F)F
InChIInChI=1S/C13H19F2NO/c1-10(16-11(2)13(14)15)8-17-9-12-6-4-3-5-7-12/h3-7,10-11,13,16H,8-9H2,1-2H3
InChIKeyKPXVULIFGLKMRL-UHFFFAOYSA-N
MW243.30 g/mol
LogP2.83
Rot. Bonds7

About 1,1-difluoro-N-(1-phenylmethoxypropan-2-yl)propan-2-amine

1,1-difluoro-N-(1-phenylmethoxypropan-2-yl)propan-2-amine (PubChem CID 130950125) has the molecular formula C13H19F2NO and a molecular weight of 243.30 g/mol. Its IUPAC name is 1,1-difluoro-N-(1-phenylmethoxypropan-2-yl)propan-2-amine.

Molecular Properties

Compound Name1,1-difluoro-N-(1-phenylmethoxypropan-2-yl)propan-2-amine
PubChem CID130950125
Molecular FormulaC13H19F2NO
Molecular Weight243.30 g/mol
Exact Mass243.14
IUPAC Name1,1-difluoro-N-(1-phenylmethoxypropan-2-yl)propan-2-amine
SMILESCC(COCc1ccccc1)NC(C)C(F)F
InChIInChI=1S/C13H19F2NO/c1-10(16-11(2)13(14)15)8-17-9-12-6-4-3-5-7-12/h3-7,10-11,13,16H,8-9H2,1-2H3
InChIKeyKPXVULIFGLKMRL-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-(1-phenylmethoxypropan-2-yl)butane-2,3-diamine
CID 130995877
2-methoxy-N-(1-phenylmethoxypropan-2-yl)propan-1-amine
CID 130921291
3-methyl-N-(1-phenylmethoxypropan-2-yl)but-2-en-1-amine
CID 131162694
2-fluorobutoxymethylbenzene
CID 121368179
(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
CID 162240108
2,3-difluoropropoxymethylbenzene
CID 86233522
2-phenylmethoxyethane-1,1-diol
CID 59866645
3-amino-2-methyl-N-(1-phenylmethoxypropan-2-yl)butanamide
CID 120501631
N-methyl-1,3-bis(phenylmethoxy)propan-2-amine
CID 20583824
[(2R)-4-bromo-2-methylbutoxy]methylbenzene
CID 174482888
2-amino-N-(1-phenylmethoxypropan-2-yl)acetamide
CID 119335277
(2R)-4-methyl-1-phenylmethoxy-N-propan-2-ylpentan-2-amine
CID 168776237

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-(1-phenylmethoxypropan-2-yl)propan-2-amine?
The IUPAC name of 1,1-difluoro-N-(1-phenylmethoxypropan-2-yl)propan-2-amine (CID 130950125) is 1,1-difluoro-N-(1-phenylmethoxypropan-2-yl)propan-2-amine.
What is the SMILES notation for 1,1-difluoro-N-(1-phenylmethoxypropan-2-yl)propan-2-amine?
The canonical SMILES for 1,1-difluoro-N-(1-phenylmethoxypropan-2-yl)propan-2-amine is CC(COCc1ccccc1)NC(C)C(F)F.
What is the InChIKey of 1,1-difluoro-N-(1-phenylmethoxypropan-2-yl)propan-2-amine?
The InChIKey is KPXVULIFGLKMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO/c1-10(16-11(2)13(14)15)8-17-9-12-6-4-3-5-7-12/h3-7,10-11,13,16H,8-9H2,1-2H3.
What are the key properties of 1,1-difluoro-N-(1-phenylmethoxypropan-2-yl)propan-2-amine?
1,1-difluoro-N-(1-phenylmethoxypropan-2-yl)propan-2-amine has a molecular weight of 243.30 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-(1-phenylmethoxypropan-2-yl)propan-2-amine is sourced from PubChem (CID 130950125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).