N-(2-bicyclo[2.2.1]heptanylmethyl)-1-[3-(difluoromethoxy)phenyl]ethanamine

C17H23F2NO — CID 63688463

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)-1-[3-(difluoromethoxy)phenyl]ethanamine
SMILESCC(NCC1CC2CCC1C2)c1cccc(OC(F)F)c1
InChIInChI=1S/C17H23F2NO/c1-11(13-3-2-4-16(9-13)21-17(18)19)20-10-15-8-12-5-6-14(15)7-12/h2-4,9,11-12,14-15,17,20H,5-8,10H2,1H3
InChIKeyCOJPONCXFHHJLF-UHFFFAOYSA-N
MW295.37 g/mol
LogP4.37
Rot. Bonds6

About N-(2-bicyclo[2.2.1]heptanylmethyl)-1-[3-(difluoromethoxy)phenyl]ethanamine

N-(2-bicyclo[2.2.1]heptanylmethyl)-1-[3-(difluoromethoxy)phenyl]ethanamine (PubChem CID 63688463) has the molecular formula C17H23F2NO and a molecular weight of 295.37 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)-1-[3-(difluoromethoxy)phenyl]ethanamine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)-1-[3-(difluoromethoxy)phenyl]ethanamine
PubChem CID63688463
Molecular FormulaC17H23F2NO
Molecular Weight295.37 g/mol
Exact Mass295.17
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)-1-[3-(difluoromethoxy)phenyl]ethanamine
SMILESCC(NCC1CC2CCC1C2)c1cccc(OC(F)F)c1
InChIInChI=1S/C17H23F2NO/c1-11(13-3-2-4-16(9-13)21-17(18)19)20-10-15-8-12-5-6-14(15)7-12/h2-4,9,11-12,14-15,17,20H,5-8,10H2,1H3
InChIKeyCOJPONCXFHHJLF-UHFFFAOYSA-N
XLogP4.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bicyclo[2.2.1]heptanyl)-1-[3-(difluoromethoxy)phenyl]-N-methylethanamine
CID 105012799
(1S)-1-[3-(difluoromethoxy)phenyl]-N-[(1,1-dioxothian-4-yl)methyl]ethanamine
CID 97108387
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,2-difluoroethanamine
CID 113303620
N-(cyclohex-3-en-1-ylmethyl)-1-[3-(difluoromethoxy)phenyl]ethanamine
CID 43677090
1-[1-[3-(difluoromethoxy)phenyl]ethylamino]propan-2-ol
CID 43499288
1-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43095815
N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 63682761
N-[2-[1-[3-(difluoromethoxy)phenyl]ethylamino]ethyl]cyclopropanecarboxamide
CID 115706371
N-[2-(cyclopropylmethoxy)ethyl]-1-[3-(difluoromethoxy)phenyl]ethanamine
CID 103782765
(1S)-1-[3-(difluoromethoxy)phenyl]-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]ethanamine
CID 97107956
N-[1-[3-(difluoromethoxy)phenyl]ethyl]cyclopentanamine
CID 43200712
N-[1-[3-(difluoromethoxy)phenyl]ethyl]prop-2-en-1-amine
CID 43200528

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-1-[3-(difluoromethoxy)phenyl]ethanamine?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-1-[3-(difluoromethoxy)phenyl]ethanamine (CID 63688463) is N-(2-bicyclo[2.2.1]heptanylmethyl)-1-[3-(difluoromethoxy)phenyl]ethanamine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)-1-[3-(difluoromethoxy)phenyl]ethanamine?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)-1-[3-(difluoromethoxy)phenyl]ethanamine is CC(NCC1CC2CCC1C2)c1cccc(OC(F)F)c1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)-1-[3-(difluoromethoxy)phenyl]ethanamine?
The InChIKey is COJPONCXFHHJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2NO/c1-11(13-3-2-4-16(9-13)21-17(18)19)20-10-15-8-12-5-6-14(15)7-12/h2-4,9,11-12,14-15,17,20H,5-8,10H2,1H3.
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)-1-[3-(difluoromethoxy)phenyl]ethanamine?
N-(2-bicyclo[2.2.1]heptanylmethyl)-1-[3-(difluoromethoxy)phenyl]ethanamine has a molecular weight of 295.37 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanylmethyl)-1-[3-(difluoromethoxy)phenyl]ethanamine is sourced from PubChem (CID 63688463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).