1,1-difluoro-N-methyl-2-naphthalen-1-ylpropan-2-amine

C14H15F2N — CID 80604679

IUPAC1,1-difluoro-N-methyl-2-naphthalen-1-ylpropan-2-amine
SMILESCNC(C)(c1cccc2ccccc12)C(F)F
InChIInChI=1S/C14H15F2N/c1-14(17-2,13(15)16)12-9-5-7-10-6-3-4-8-11(10)12/h3-9,13,17H,1-2H3
InChIKeyNGKVAAGSROAFJZ-UHFFFAOYSA-N
MW235.28 g/mol
LogP3.54
Rot. Bonds3

About 1,1-difluoro-N-methyl-2-naphthalen-1-ylpropan-2-amine

1,1-difluoro-N-methyl-2-naphthalen-1-ylpropan-2-amine (PubChem CID 80604679) has the molecular formula C14H15F2N and a molecular weight of 235.28 g/mol. Its IUPAC name is 1,1-difluoro-N-methyl-2-naphthalen-1-ylpropan-2-amine.

Molecular Properties

Compound Name1,1-difluoro-N-methyl-2-naphthalen-1-ylpropan-2-amine
PubChem CID80604679
Molecular FormulaC14H15F2N
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name1,1-difluoro-N-methyl-2-naphthalen-1-ylpropan-2-amine
SMILESCNC(C)(c1cccc2ccccc12)C(F)F
InChIInChI=1S/C14H15F2N/c1-14(17-2,13(15)16)12-9-5-7-10-6-3-4-8-11(10)12/h3-9,13,17H,1-2H3
InChIKeyNGKVAAGSROAFJZ-UHFFFAOYSA-N
XLogP3.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,4-dimethyl-4-naphthalen-1-ylpentan-2-amine
CID 64718281
(2R)-2-(methylamino)-2-naphthalen-1-ylpropanoic acid
CID 67197757
(2S)-2-(methylamino)-2-naphthalen-1-ylpropanoic acid
CID 66760761
1-(1,1-dinaphthalen-1-ylethyl)naphthalene
CID 91541516
(2S)-2-(methylamino)-2-naphthalen-1-ylpropanal
CID 88510080
1-(methylamino)-2-naphthalen-1-ylpropan-2-ol
CID 62774360
3-methyl-2-naphthalen-1-ylbutan-2-ol
CID 11830817
1,1,1-trifluoro-2-naphthalen-1-ylpropan-2-amine
CID 63898473
2,3-dimethyl-3-naphthalen-1-ylbutan-2-ol
CID 140553457
3-methyl-3-naphthalen-1-yl-N-propan-2-ylbutan-1-amine
CID 79830054
1,1-difluoro-1-naphthalen-1-ylpropan-2-amine
CID 116839348
1-(1,1,1-trifluoro-2-methylbutan-2-yl)naphthalene
CID 118544454

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-methyl-2-naphthalen-1-ylpropan-2-amine?
The IUPAC name of 1,1-difluoro-N-methyl-2-naphthalen-1-ylpropan-2-amine (CID 80604679) is 1,1-difluoro-N-methyl-2-naphthalen-1-ylpropan-2-amine.
What is the SMILES notation for 1,1-difluoro-N-methyl-2-naphthalen-1-ylpropan-2-amine?
The canonical SMILES for 1,1-difluoro-N-methyl-2-naphthalen-1-ylpropan-2-amine is CNC(C)(c1cccc2ccccc12)C(F)F.
What is the InChIKey of 1,1-difluoro-N-methyl-2-naphthalen-1-ylpropan-2-amine?
The InChIKey is NGKVAAGSROAFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N/c1-14(17-2,13(15)16)12-9-5-7-10-6-3-4-8-11(10)12/h3-9,13,17H,1-2H3.
What are the key properties of 1,1-difluoro-N-methyl-2-naphthalen-1-ylpropan-2-amine?
1,1-difluoro-N-methyl-2-naphthalen-1-ylpropan-2-amine has a molecular weight of 235.28 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-methyl-2-naphthalen-1-ylpropan-2-amine is sourced from PubChem (CID 80604679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).