N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(3-fluorophenyl)propan-1-amine

C18H26FN — CID 114871004

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(3-fluorophenyl)propan-1-amine
SMILESCCC(NC(C)C1CC2CCC1C2)c1cccc(F)c1
InChIInChI=1S/C18H26FN/c1-3-18(15-5-4-6-16(19)11-15)20-12(2)17-10-13-7-8-14(17)9-13/h4-6,11-14,17-18,20H,3,7-10H2,1-2H3
InChIKeyVUYUYJQMZYRGIK-UHFFFAOYSA-N
MW275.41 g/mol
LogP4.69
Rot. Bonds5

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

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(3-fluorophenyl)propan-1-amine (PubChem CID 114871004) has the molecular formula C18H26FN and a molecular weight of 275.41 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(3-fluorophenyl)propan-1-amine.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(3-fluorophenyl)propan-1-amine
PubChem CID114871004
Molecular FormulaC18H26FN
Molecular Weight275.41 g/mol
Exact Mass275.20
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(3-fluorophenyl)propan-1-amine
SMILESCCC(NC(C)C1CC2CCC1C2)c1cccc(F)c1
InChIInChI=1S/C18H26FN/c1-3-18(15-5-4-6-16(19)11-15)20-12(2)17-10-13-7-8-14(17)9-13/h4-6,11-14,17-18,20H,3,7-10H2,1-2H3
InChIKeyVUYUYJQMZYRGIK-UHFFFAOYSA-N
XLogP4.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.41
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(4-fluorophenyl)propan-1-amine
CID 43111446
(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[(3-fluorophenyl)methyl]ethanamine
CID 98074301
1-(2-bicyclo[2.2.1]heptanyl)-N-[bis(4-fluorophenyl)methyl]ethanamine
CID 4848964
(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[bis(4-fluorophenyl)methyl]ethanamine
CID 98305321
1-(2-bicyclo[2.2.1]heptanyl)-N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43312604
1-(2-bicyclo[2.2.1]heptanyl)-N-[(2-bromo-5-fluorophenyl)methyl]ethanamine
CID 43100719
N-[1-(3-fluorophenyl)propyl]oxolan-3-amine
CID 114871720
N-[(4-ethylcyclohexyl)methyl]-1-(3-fluorophenyl)propan-1-amine
CID 114871425
(1R)-1-(3-fluorophenyl)-N-methylpropan-1-amine
CID 93312415
(2R)-2-[[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-N-(4-fluorophenyl)-2-phenylacetamide
CID 98430928
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-bromo-5-fluorobenzamide
CID 24699631
2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-1-(4-fluorophenyl)ethanol
CID 60714622

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(3-fluorophenyl)propan-1-amine?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(3-fluorophenyl)propan-1-amine (CID 114871004) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(3-fluorophenyl)propan-1-amine.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(3-fluorophenyl)propan-1-amine?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(3-fluorophenyl)propan-1-amine is CCC(NC(C)C1CC2CCC1C2)c1cccc(F)c1.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(3-fluorophenyl)propan-1-amine?
The InChIKey is VUYUYJQMZYRGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN/c1-3-18(15-5-4-6-16(19)11-15)20-12(2)17-10-13-7-8-14(17)9-13/h4-6,11-14,17-18,20H,3,7-10H2,1-2H3.
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(3-fluorophenyl)propan-1-amine?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(3-fluorophenyl)propan-1-amine has a molecular weight of 275.41 g/mol, XLogP of 4.69, 5 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)ethyl]-1-(3-fluorophenyl)propan-1-amine is sourced from PubChem (CID 114871004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).