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

C15H22FNO — CID 81380158

IUPACN-[(1R)-1-(2-fluorophenyl)ethyl]-2,2-dimethyloxan-4-amine
SMILESC[C@@H](NC1CCOC(C)(C)C1)c1ccccc1F
InChIInChI=1S/C15H22FNO/c1-11(13-6-4-5-7-14(13)16)17-12-8-9-18-15(2,3)10-12/h4-7,11-12,17H,8-10H2,1-3H3/t11-,12?/m1/s1
InChIKeyXZBSHDPNENHJKT-JHJMLUEUSA-N
MW251.35 g/mol
LogP3.43
Rot. Bonds3

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

N-[(1R)-1-(2-fluorophenyl)ethyl]-2,2-dimethyloxan-4-amine (PubChem CID 81380158) has the molecular formula C15H22FNO and a molecular weight of 251.35 g/mol. Its IUPAC name is N-[(1R)-1-(2-fluorophenyl)ethyl]-2,2-dimethyloxan-4-amine.

Molecular Properties

Compound NameN-[(1R)-1-(2-fluorophenyl)ethyl]-2,2-dimethyloxan-4-amine
PubChem CID81380158
Molecular FormulaC15H22FNO
Molecular Weight251.35 g/mol
Exact Mass251.17
IUPAC NameN-[(1R)-1-(2-fluorophenyl)ethyl]-2,2-dimethyloxan-4-amine
SMILESC[C@@H](NC1CCOC(C)(C)C1)c1ccccc1F
InChIInChI=1S/C15H22FNO/c1-11(13-6-4-5-7-14(13)16)17-12-8-9-18-15(2,3)10-12/h4-7,11-12,17H,8-10H2,1-3H3/t11-,12?/m1/s1
InChIKeyXZBSHDPNENHJKT-JHJMLUEUSA-N
XLogP3.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]oxan-4-amine
CID 81373174
(4S)-2,2-dimethyl-N-[(1S)-1-phenylethyl]oxan-4-amine
CID 756075
N-[(1R)-1-(2-fluorophenyl)ethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 81379881
N-[1-(3,5-difluorophenyl)ethyl]-2,2-dimethyloxan-4-amine
CID 83033287
N-[(1R)-1-(furan-2-yl)ethyl]-2,2-dimethyloxan-4-amine
CID 81403572
N-[1-(2-fluorophenyl)ethyl]cyclooctanamine
CID 43080224
N-[1-(4-iodophenyl)ethyl]-2,2-dimethyloxan-4-amine
CID 83032780
N-[1-(furan-3-yl)ethyl]-2,2-dimethyloxan-4-amine
CID 83033874
3-(4-fluorophenyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]cyclobutan-1-amine
CID 81370958
2,2-dimethyl-N-[1-(2,4,6-trimethylphenyl)ethyl]oxan-4-amine
CID 83033464
3-[1-(2-fluorophenyl)ethylamino]-2,2-dimethylcyclobutan-1-ol
CID 112633776
N-[1-(5-bromothiophen-2-yl)ethyl]-2,2-dimethyloxan-4-amine
CID 83032784

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-fluorophenyl)ethyl]-2,2-dimethyloxan-4-amine?
The IUPAC name of N-[(1R)-1-(2-fluorophenyl)ethyl]-2,2-dimethyloxan-4-amine (CID 81380158) is N-[(1R)-1-(2-fluorophenyl)ethyl]-2,2-dimethyloxan-4-amine.
What is the SMILES notation for N-[(1R)-1-(2-fluorophenyl)ethyl]-2,2-dimethyloxan-4-amine?
The canonical SMILES for N-[(1R)-1-(2-fluorophenyl)ethyl]-2,2-dimethyloxan-4-amine is C[C@@H](NC1CCOC(C)(C)C1)c1ccccc1F.
What is the InChIKey of N-[(1R)-1-(2-fluorophenyl)ethyl]-2,2-dimethyloxan-4-amine?
The InChIKey is XZBSHDPNENHJKT-JHJMLUEUSA-N. The full InChI is InChI=1S/C15H22FNO/c1-11(13-6-4-5-7-14(13)16)17-12-8-9-18-15(2,3)10-12/h4-7,11-12,17H,8-10H2,1-3H3/t11-,12?/m1/s1.
What are the key properties of N-[(1R)-1-(2-fluorophenyl)ethyl]-2,2-dimethyloxan-4-amine?
N-[(1R)-1-(2-fluorophenyl)ethyl]-2,2-dimethyloxan-4-amine has a molecular weight of 251.35 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-fluorophenyl)ethyl]-2,2-dimethyloxan-4-amine is sourced from PubChem (CID 81380158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).