N-[1-(4,4-dimethylcyclohexyl)-2-(4-fluorophenyl)ethyl]propan-1-amine

C19H30FN — CID 65391253

IUPACN-[1-(4,4-dimethylcyclohexyl)-2-(4-fluorophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(F)cc1)C1CCC(C)(C)CC1
InChIInChI=1S/C19H30FN/c1-4-13-21-18(14-15-5-7-17(20)8-6-15)16-9-11-19(2,3)12-10-16/h5-8,16,18,21H,4,9-14H2,1-3H3
InChIKeyHHOPTWKOISISET-UHFFFAOYSA-N
MW291.45 g/mol
LogP4.95
Rot. Bonds6

About N-[1-(4,4-dimethylcyclohexyl)-2-(4-fluorophenyl)ethyl]propan-1-amine

N-[1-(4,4-dimethylcyclohexyl)-2-(4-fluorophenyl)ethyl]propan-1-amine (PubChem CID 65391253) has the molecular formula C19H30FN and a molecular weight of 291.45 g/mol. Its IUPAC name is N-[1-(4,4-dimethylcyclohexyl)-2-(4-fluorophenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(4,4-dimethylcyclohexyl)-2-(4-fluorophenyl)ethyl]propan-1-amine
PubChem CID65391253
Molecular FormulaC19H30FN
Molecular Weight291.45 g/mol
Exact Mass291.24
IUPAC NameN-[1-(4,4-dimethylcyclohexyl)-2-(4-fluorophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(F)cc1)C1CCC(C)(C)CC1
InChIInChI=1S/C19H30FN/c1-4-13-21-18(14-15-5-7-17(20)8-6-15)16-9-11-19(2,3)12-10-16/h5-8,16,18,21H,4,9-14H2,1-3H3
InChIKeyHHOPTWKOISISET-UHFFFAOYSA-N
XLogP4.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.45
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2,2-dimethylcyclohexyl)-2-(4-fluorophenyl)ethyl]propan-1-amine
CID 107179519
1-(4,4-dimethylcyclohexyl)-N-ethyl-2-(4-iodophenyl)ethanamine
CID 65479391
1-cyclooctyl-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 65018192
1-(4,4-dimethylcyclohexyl)-N-ethyl-2-phenylethanamine
CID 65391828
N-[1-cyclooctyl-2-(4-methylphenyl)ethyl]propan-1-amine
CID 65018486
N-[2-(2-chloro-4-fluorophenyl)-1-cyclopropylethyl]propan-1-amine
CID 55095503
1-(4,4-dimethylcyclohexyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 114347992
2-(2,5-difluorophenyl)-1-(4,4-dimethylcyclohexyl)-N-ethylethanamine
CID 65390250
N-[2-(2,4-difluorophenyl)-1-(4-methylcyclohexyl)ethyl]propan-1-amine
CID 63415659
N-[2-(4-fluoro-2-methylphenyl)-1-(4-methylcyclohexyl)ethyl]propan-1-amine
CID 114347799
N-[1-(4-ethylcyclohexyl)-2-(4-iodophenyl)ethyl]propan-1-amine
CID 65479388
N-[(2-chloro-5-fluorophenyl)-(4,4-dimethylcyclohexyl)methyl]propan-1-amine
CID 105395058

Frequently Asked Questions

What is the IUPAC name of N-[1-(4,4-dimethylcyclohexyl)-2-(4-fluorophenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(4,4-dimethylcyclohexyl)-2-(4-fluorophenyl)ethyl]propan-1-amine (CID 65391253) is N-[1-(4,4-dimethylcyclohexyl)-2-(4-fluorophenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(4,4-dimethylcyclohexyl)-2-(4-fluorophenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(4,4-dimethylcyclohexyl)-2-(4-fluorophenyl)ethyl]propan-1-amine is CCCNC(Cc1ccc(F)cc1)C1CCC(C)(C)CC1.
What is the InChIKey of N-[1-(4,4-dimethylcyclohexyl)-2-(4-fluorophenyl)ethyl]propan-1-amine?
The InChIKey is HHOPTWKOISISET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30FN/c1-4-13-21-18(14-15-5-7-17(20)8-6-15)16-9-11-19(2,3)12-10-16/h5-8,16,18,21H,4,9-14H2,1-3H3.
What are the key properties of N-[1-(4,4-dimethylcyclohexyl)-2-(4-fluorophenyl)ethyl]propan-1-amine?
N-[1-(4,4-dimethylcyclohexyl)-2-(4-fluorophenyl)ethyl]propan-1-amine has a molecular weight of 291.45 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4,4-dimethylcyclohexyl)-2-(4-fluorophenyl)ethyl]propan-1-amine is sourced from PubChem (CID 65391253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).