1-(3,4-dimethylcyclohexyl)-1-(2-fluorophenyl)propan-1-amine

C17H26FN — CID 112679566

IUPAC1-(3,4-dimethylcyclohexyl)-1-(2-fluorophenyl)propan-1-amine
SMILESCCC(N)(c1ccccc1F)C1CCC(C)C(C)C1
InChIInChI=1S/C17H26FN/c1-4-17(19,15-7-5-6-8-16(15)18)14-10-9-12(2)13(3)11-14/h5-8,12-14H,4,9-11,19H2,1-3H3
InChIKeyXRGDQXSFODIVGP-UHFFFAOYSA-N
MW263.40 g/mol
LogP4.46
Rot. Bonds3

About 1-(3,4-dimethylcyclohexyl)-1-(2-fluorophenyl)propan-1-amine

1-(3,4-dimethylcyclohexyl)-1-(2-fluorophenyl)propan-1-amine (PubChem CID 112679566) has the molecular formula C17H26FN and a molecular weight of 263.40 g/mol. Its IUPAC name is 1-(3,4-dimethylcyclohexyl)-1-(2-fluorophenyl)propan-1-amine.

Molecular Properties

Compound Name1-(3,4-dimethylcyclohexyl)-1-(2-fluorophenyl)propan-1-amine
PubChem CID112679566
Molecular FormulaC17H26FN
Molecular Weight263.40 g/mol
Exact Mass263.20
IUPAC Name1-(3,4-dimethylcyclohexyl)-1-(2-fluorophenyl)propan-1-amine
SMILESCCC(N)(c1ccccc1F)C1CCC(C)C(C)C1
InChIInChI=1S/C17H26FN/c1-4-17(19,15-7-5-6-8-16(15)18)14-10-9-12(2)13(3)11-14/h5-8,12-14H,4,9-11,19H2,1-3H3
InChIKeyXRGDQXSFODIVGP-UHFFFAOYSA-N
XLogP4.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,4-dimethylcyclohexyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 112586065
1-cyclopropyl-1-(2-fluorophenyl)propan-1-ol
CID 64918927
1,1-difluoro-2-(2-fluorophenyl)butan-2-amine
CID 112680130
3-(2-fluorophenyl)-2-methylpentan-3-amine
CID 62501287
1-cycloheptyl-1-(2-fluorophenyl)propan-1-ol
CID 112679495
2-(2-fluorophenyl)-1-pyridin-2-ylbutan-2-amine
CID 112679626
2-(2-fluorophenyl)-1-phenylbutan-2-amine
CID 79007656
[(3,4-dimethylcyclohexyl)-[2-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105312456
2-(azepan-1-yl)-3-(2-fluorophenyl)pentan-3-amine
CID 43830525
1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-fluorophenyl)butan-2-amine
CID 112679617
1,1-bis(2-fluorophenyl)propan-1-ol
CID 112679425
N,N-bis[1-amino-1-(2-fluorophenyl)propyl]cyclobutanecarboxamide
CID 66709730

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylcyclohexyl)-1-(2-fluorophenyl)propan-1-amine?
The IUPAC name of 1-(3,4-dimethylcyclohexyl)-1-(2-fluorophenyl)propan-1-amine (CID 112679566) is 1-(3,4-dimethylcyclohexyl)-1-(2-fluorophenyl)propan-1-amine.
What is the SMILES notation for 1-(3,4-dimethylcyclohexyl)-1-(2-fluorophenyl)propan-1-amine?
The canonical SMILES for 1-(3,4-dimethylcyclohexyl)-1-(2-fluorophenyl)propan-1-amine is CCC(N)(c1ccccc1F)C1CCC(C)C(C)C1.
What is the InChIKey of 1-(3,4-dimethylcyclohexyl)-1-(2-fluorophenyl)propan-1-amine?
The InChIKey is XRGDQXSFODIVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN/c1-4-17(19,15-7-5-6-8-16(15)18)14-10-9-12(2)13(3)11-14/h5-8,12-14H,4,9-11,19H2,1-3H3.
What are the key properties of 1-(3,4-dimethylcyclohexyl)-1-(2-fluorophenyl)propan-1-amine?
1-(3,4-dimethylcyclohexyl)-1-(2-fluorophenyl)propan-1-amine has a molecular weight of 263.40 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylcyclohexyl)-1-(2-fluorophenyl)propan-1-amine is sourced from PubChem (CID 112679566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).