N-[1-(2-bicyclo[2.2.1]heptanyl)-2-(3,5-difluorophenyl)ethyl]propan-1-amine

C18H25F2N — CID 105406929

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)-2-(3,5-difluorophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(F)cc(F)c1)C1CC2CCC1C2
InChIInChI=1S/C18H25F2N/c1-2-5-21-18(17-9-12-3-4-14(17)6-12)10-13-7-15(19)11-16(20)8-13/h7-8,11-12,14,17-18,21H,2-6,9-10H2,1H3
InChIKeyDIYRKILCXGAVEJ-UHFFFAOYSA-N
MW293.40 g/mol
LogP4.31
Rot. Bonds6

About N-[1-(2-bicyclo[2.2.1]heptanyl)-2-(3,5-difluorophenyl)ethyl]propan-1-amine

N-[1-(2-bicyclo[2.2.1]heptanyl)-2-(3,5-difluorophenyl)ethyl]propan-1-amine (PubChem CID 105406929) has the molecular formula C18H25F2N and a molecular weight of 293.40 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)-2-(3,5-difluorophenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)-2-(3,5-difluorophenyl)ethyl]propan-1-amine
PubChem CID105406929
Molecular FormulaC18H25F2N
Molecular Weight293.40 g/mol
Exact Mass293.20
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)-2-(3,5-difluorophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(F)cc(F)c1)C1CC2CCC1C2
InChIInChI=1S/C18H25F2N/c1-2-5-21-18(17-9-12-3-4-14(17)6-12)10-13-7-15(19)11-16(20)8-13/h7-8,11-12,14,17-18,21H,2-6,9-10H2,1H3
InChIKeyDIYRKILCXGAVEJ-UHFFFAOYSA-N
XLogP4.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[1-(2-bicyclo[2.2.1]heptanyl)-2-(3,5-difluorophenyl)ethyl]propan-1-amine with MolForge

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Related Compounds

[1-(2-bicyclo[2.2.1]heptanyl)-2-(3,5-difluorophenyl)ethyl]hydrazine
CID 105413002
1-(2-bicyclo[2.2.1]heptanyl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 114245869
1-(2-bicyclo[2.2.1]heptanyl)-2-(3-chloro-4-fluorophenyl)-N-ethylethanamine
CID 103040435
N-[2-(3,5-difluorophenyl)-1-(thiolan-3-yl)ethyl]propan-1-amine
CID 105412296
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(4-methylphenyl)ethanamine
CID 63527764
N-[2-(3-fluorophenyl)-1-(2-methylcyclopropyl)ethyl]propan-1-amine
CID 61064174
[1-(2-bicyclo[2.2.1]heptanyl)-2-(4-fluorophenyl)ethyl]hydrazine
CID 105266614
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(2-fluorophenyl)ethanamine
CID 61365738
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine
CID 61364944
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 61365344
1-(2-bicyclo[2.2.1]heptanyl)-N-[(3-bromo-5-fluorophenyl)methyl]ethanamine
CID 79710529
1-(2-bicyclo[2.2.1]heptanyl)-2-ethyl-N-propylbutan-1-amine
CID 113383565

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)-2-(3,5-difluorophenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)-2-(3,5-difluorophenyl)ethyl]propan-1-amine (CID 105406929) is N-[1-(2-bicyclo[2.2.1]heptanyl)-2-(3,5-difluorophenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)-2-(3,5-difluorophenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)-2-(3,5-difluorophenyl)ethyl]propan-1-amine is CCCNC(Cc1cc(F)cc(F)c1)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)-2-(3,5-difluorophenyl)ethyl]propan-1-amine?
The InChIKey is DIYRKILCXGAVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F2N/c1-2-5-21-18(17-9-12-3-4-14(17)6-12)10-13-7-15(19)11-16(20)8-13/h7-8,11-12,14,17-18,21H,2-6,9-10H2,1H3.
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)-2-(3,5-difluorophenyl)ethyl]propan-1-amine?
N-[1-(2-bicyclo[2.2.1]heptanyl)-2-(3,5-difluorophenyl)ethyl]propan-1-amine has a molecular weight of 293.40 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)-2-(3,5-difluorophenyl)ethyl]propan-1-amine is sourced from PubChem (CID 105406929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).