N-[(4-fluoro-3-methylphenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine

C14H18FNO — CID 80602681

IUPACN-[(4-fluoro-3-methylphenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESCc1cc(CNC2CC3CCC2O3)ccc1F
InChIInChI=1S/C14H18FNO/c1-9-6-10(2-4-12(9)15)8-16-13-7-11-3-5-14(13)17-11/h2,4,6,11,13-14,16H,3,5,7-8H2,1H3
InChIKeyHVYMIXALGGJTBS-UHFFFAOYSA-N
MW235.30 g/mol
LogP2.54
Rot. Bonds3

About N-[(4-fluoro-3-methylphenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine

N-[(4-fluoro-3-methylphenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine (PubChem CID 80602681) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is N-[(4-fluoro-3-methylphenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-[(4-fluoro-3-methylphenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
PubChem CID80602681
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC NameN-[(4-fluoro-3-methylphenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESCc1cc(CNC2CC3CCC2O3)ccc1F
InChIInChI=1S/C14H18FNO/c1-9-6-10(2-4-12(9)15)8-16-13-7-11-3-5-14(13)17-11/h2,4,6,11,13-14,16H,3,5,7-8H2,1H3
InChIKeyHVYMIXALGGJTBS-UHFFFAOYSA-N
XLogP2.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dimethyl-4-[(7-oxabicyclo[2.2.1]heptan-2-ylamino)methyl]phenol
CID 80714508
N-[(3,4,5-trifluorophenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80602479
N-[(4-chloro-2-methylphenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 104854320
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80611753
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 115282910
N-[(4-ethoxy-3-methoxyphenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80601702
N-[4-[(7-oxabicyclo[2.2.1]heptan-2-ylamino)methyl]phenyl]acetamide
CID 80602105
4-fluoro-3-[(7-oxabicyclo[2.2.1]heptan-2-ylamino)methyl]benzoic acid
CID 107453125
methyl 4-[(7-oxabicyclo[2.2.1]heptan-2-ylamino)methyl]benzoate
CID 80715814
2-fluoro-5-(methylaminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzenesulfonamide
CID 106072741
N-[(1-ethylpyrrol-3-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80714455
N-[(3,4-difluorophenyl)methyl]-2-methylcyclopropan-1-amine
CID 62396100

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine (CID 80602681) is N-[(4-fluoro-3-methylphenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-[(4-fluoro-3-methylphenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-[(4-fluoro-3-methylphenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine is Cc1cc(CNC2CC3CCC2O3)ccc1F.
What is the InChIKey of N-[(4-fluoro-3-methylphenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
The InChIKey is HVYMIXALGGJTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c1-9-6-10(2-4-12(9)15)8-16-13-7-11-3-5-14(13)17-11/h2,4,6,11,13-14,16H,3,5,7-8H2,1H3.
What are the key properties of N-[(4-fluoro-3-methylphenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
N-[(4-fluoro-3-methylphenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine has a molecular weight of 235.30 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3-methylphenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 80602681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).