4-(2,2-difluoroethoxy)-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-amine

C17H25F2NO — CID 103149325

IUPAC4-(2,2-difluoroethoxy)-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-amine
SMILESCNC(CCOCC(F)F)CC1CCCc2ccccc21
InChIInChI=1S/C17H25F2NO/c1-20-15(9-10-21-12-17(18)19)11-14-7-4-6-13-5-2-3-8-16(13)14/h2-3,5,8,14-15,17,20H,4,6-7,9-12H2,1H3
InChIKeyHNHDFTTUSFDSGX-UHFFFAOYSA-N
MW297.39 g/mol
LogP3.76
Rot. Bonds8

About 4-(2,2-difluoroethoxy)-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-amine

4-(2,2-difluoroethoxy)-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-amine (PubChem CID 103149325) has the molecular formula C17H25F2NO and a molecular weight of 297.39 g/mol. Its IUPAC name is 4-(2,2-difluoroethoxy)-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-amine.

Molecular Properties

Compound Name4-(2,2-difluoroethoxy)-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-amine
PubChem CID103149325
Molecular FormulaC17H25F2NO
Molecular Weight297.39 g/mol
Exact Mass297.19
IUPAC Name4-(2,2-difluoroethoxy)-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-amine
SMILESCNC(CCOCC(F)F)CC1CCCc2ccccc21
InChIInChI=1S/C17H25F2NO/c1-20-15(9-10-21-12-17(18)19)11-14-7-4-6-13-5-2-3-8-16(13)14/h2-3,5,8,14-15,17,20H,4,6-7,9-12H2,1H3
InChIKeyHNHDFTTUSFDSGX-UHFFFAOYSA-N
XLogP3.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 53.76
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

N-methyl-4-(oxolan-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-amine
CID 115812445
1-methoxy-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-amine
CID 63772832
1-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 54453127
1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 115812317
N-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-amine
CID 55241508
N-ethyl-1-ethylsulfanyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-amine
CID 65128460
N-ethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)heptan-2-amine
CID 115812394
1-cyclopropyl-1-methoxy-N-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-amine
CID 116722314
[1,1-difluoro-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-yl]hydrazine
CID 105265068
N,3,3-trimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pentan-2-amine
CID 115812436
[3-methoxy-3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-yl]hydrazine
CID 105245335
N-methyl-1-(oxolan-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 65328404

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethoxy)-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-amine?
The IUPAC name of 4-(2,2-difluoroethoxy)-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-amine (CID 103149325) is 4-(2,2-difluoroethoxy)-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-amine.
What is the SMILES notation for 4-(2,2-difluoroethoxy)-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-amine?
The canonical SMILES for 4-(2,2-difluoroethoxy)-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-amine is CNC(CCOCC(F)F)CC1CCCc2ccccc21.
What is the InChIKey of 4-(2,2-difluoroethoxy)-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-amine?
The InChIKey is HNHDFTTUSFDSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2NO/c1-20-15(9-10-21-12-17(18)19)11-14-7-4-6-13-5-2-3-8-16(13)14/h2-3,5,8,14-15,17,20H,4,6-7,9-12H2,1H3.
What are the key properties of 4-(2,2-difluoroethoxy)-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-amine?
4-(2,2-difluoroethoxy)-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-amine has a molecular weight of 297.39 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethoxy)-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-amine is sourced from PubChem (CID 103149325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).