(4R)-N-[2-[1-[(4-fluorophenyl)methyl]cyclohexyl]ethyl]-2,2-dimethyloxan-4-amine

C22H34FNO — CID 39313117

IUPAC(4R)-N-[2-[1-[(4-fluorophenyl)methyl]cyclohexyl]ethyl]-2,2-dimethyloxan-4-amine
SMILESCC1(C)C[C@H](NCCC2(Cc3ccc(F)cc3)CCCCC2)CCO1
InChIInChI=1S/C22H34FNO/c1-21(2)17-20(10-15-25-21)24-14-13-22(11-4-3-5-12-22)16-18-6-8-19(23)9-7-18/h6-9,20,24H,3-5,10-17H2,1-2H3/t20-/m1/s1
InChIKeyXXFKJHGZDOLLAF-HXUWFJFHSA-N
MW347.52 g/mol
LogP5.26
Rot. Bonds6

About (4R)-N-[2-[1-[(4-fluorophenyl)methyl]cyclohexyl]ethyl]-2,2-dimethyloxan-4-amine

(4R)-N-[2-[1-[(4-fluorophenyl)methyl]cyclohexyl]ethyl]-2,2-dimethyloxan-4-amine (PubChem CID 39313117) has the molecular formula C22H34FNO and a molecular weight of 347.52 g/mol. Its IUPAC name is (4R)-N-[2-[1-[(4-fluorophenyl)methyl]cyclohexyl]ethyl]-2,2-dimethyloxan-4-amine.

Molecular Properties

Compound Name(4R)-N-[2-[1-[(4-fluorophenyl)methyl]cyclohexyl]ethyl]-2,2-dimethyloxan-4-amine
PubChem CID39313117
Molecular FormulaC22H34FNO
Molecular Weight347.52 g/mol
Exact Mass347.26
IUPAC Name(4R)-N-[2-[1-[(4-fluorophenyl)methyl]cyclohexyl]ethyl]-2,2-dimethyloxan-4-amine
SMILESCC1(C)C[C@H](NCCC2(Cc3ccc(F)cc3)CCCCC2)CCO1
InChIInChI=1S/C22H34FNO/c1-21(2)17-20(10-15-25-21)24-14-13-22(11-4-3-5-12-22)16-18-6-8-19(23)9-7-18/h6-9,20,24H,3-5,10-17H2,1-2H3/t20-/m1/s1
InChIKeyXXFKJHGZDOLLAF-HXUWFJFHSA-N
XLogP5.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.52
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4R)-N-[2-[1-[(4-fluorophenyl)methyl]cyclohexyl]ethyl]-2,2-dimethyloxan-4-amine with MolForge

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Related Compounds

N-[2-[1-[(4-chlorophenyl)methyl]cyclopentyl]ethyl]-2,2-dimethyloxan-4-amine
CID 42653353
2,2-dimethyl-N-[2-(1-phenylcyclohexyl)ethyl]oxan-4-amine
CID 42654800
N-[3-(4-chlorophenyl)-3-(4-fluorophenyl)propyl]-2,2-dimethyloxan-4-amine
CID 42655320
N-[(4-ethylphenyl)methyl]-2,2-dimethyloxan-4-amine
CID 115563697
2-[1-[[(2,2-dimethyloxan-4-yl)amino]methyl]cyclopropyl]ethanol
CID 114756114
1-[[(2,2-dimethyloxan-4-yl)amino]methyl]cyclopentan-1-ol
CID 65105371
N-[[4-[(4-fluorophenyl)methyl]oxan-4-yl]methyl]cyclopropanamine
CID 62906105
N-[[4-(dimethylamino)phenyl]methyl]-N'-(2,2-dimethyloxan-4-yl)ethane-1,2-diamine
CID 42649549
N-[(3-fluoro-4-methoxyphenyl)methyl]-2,2-dimethyloxan-4-amine
CID 115563685
N-[[3-[(4-fluorophenyl)methyl]oxolan-3-yl]methyl]cyclopropanamine
CID 62718679
N-(3-cyclopropyl-3-phenylbutyl)-2,2-dimethyloxan-4-amine
CID 42654190
N-[(3-chloro-5-fluorophenyl)methyl]-2,2-dimethyloxan-4-amine
CID 114453071

Frequently Asked Questions

What is the IUPAC name of (4R)-N-[2-[1-[(4-fluorophenyl)methyl]cyclohexyl]ethyl]-2,2-dimethyloxan-4-amine?
The IUPAC name of (4R)-N-[2-[1-[(4-fluorophenyl)methyl]cyclohexyl]ethyl]-2,2-dimethyloxan-4-amine (CID 39313117) is (4R)-N-[2-[1-[(4-fluorophenyl)methyl]cyclohexyl]ethyl]-2,2-dimethyloxan-4-amine.
What is the SMILES notation for (4R)-N-[2-[1-[(4-fluorophenyl)methyl]cyclohexyl]ethyl]-2,2-dimethyloxan-4-amine?
The canonical SMILES for (4R)-N-[2-[1-[(4-fluorophenyl)methyl]cyclohexyl]ethyl]-2,2-dimethyloxan-4-amine is CC1(C)C[C@H](NCCC2(Cc3ccc(F)cc3)CCCCC2)CCO1.
What is the InChIKey of (4R)-N-[2-[1-[(4-fluorophenyl)methyl]cyclohexyl]ethyl]-2,2-dimethyloxan-4-amine?
The InChIKey is XXFKJHGZDOLLAF-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H34FNO/c1-21(2)17-20(10-15-25-21)24-14-13-22(11-4-3-5-12-22)16-18-6-8-19(23)9-7-18/h6-9,20,24H,3-5,10-17H2,1-2H3/t20-/m1/s1.
What are the key properties of (4R)-N-[2-[1-[(4-fluorophenyl)methyl]cyclohexyl]ethyl]-2,2-dimethyloxan-4-amine?
(4R)-N-[2-[1-[(4-fluorophenyl)methyl]cyclohexyl]ethyl]-2,2-dimethyloxan-4-amine has a molecular weight of 347.52 g/mol, XLogP of 5.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-[2-[1-[(4-fluorophenyl)methyl]cyclohexyl]ethyl]-2,2-dimethyloxan-4-amine is sourced from PubChem (CID 39313117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).