N-[1-(3-chlorophenyl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine

C18H24ClN — CID 43392322

IUPACN-[1-(3-chlorophenyl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine
SMILESCC(NC1CC2CC1C1CCCC21)c1cccc(Cl)c1
InChIInChI=1S/C18H24ClN/c1-11(12-4-2-5-14(19)8-12)20-18-10-13-9-17(18)16-7-3-6-15(13)16/h2,4-5,8,11,13,15-18,20H,3,6-7,9-10H2,1H3
InChIKeyFKRZKPUXILLUNV-UHFFFAOYSA-N
MW289.85 g/mol
LogP4.82
Rot. Bonds3

About N-[1-(3-chlorophenyl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine

N-[1-(3-chlorophenyl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine (PubChem CID 43392322) has the molecular formula C18H24ClN and a molecular weight of 289.85 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine
PubChem CID43392322
Molecular FormulaC18H24ClN
Molecular Weight289.85 g/mol
Exact Mass289.16
IUPAC NameN-[1-(3-chlorophenyl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine
SMILESCC(NC1CC2CC1C1CCCC21)c1cccc(Cl)c1
InChIInChI=1S/C18H24ClN/c1-11(12-4-2-5-14(19)8-12)20-18-10-13-9-17(18)16-7-3-6-15(13)16/h2,4-5,8,11,13,15-18,20H,3,6-7,9-10H2,1H3
InChIKeyFKRZKPUXILLUNV-UHFFFAOYSA-N
XLogP4.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.85
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(3-chlorophenyl)ethyl]-2-methylcyclopentan-1-amine
CID 63277317
2-[1-(3-chlorophenyl)ethylamino]cyclopentan-1-ol
CID 60713491
N-[(1R)-1-pyridin-3-ylethyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 81407323
N-[1-(4-bromophenyl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 43223790
N-[(1S)-1-(3-chlorophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine
CID 81366645
N-[(1S)-1-(3-chlorophenyl)ethyl]-3-cyclopropylcyclohexan-1-amine
CID 81366711
trans-(1S,2S)-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]cyclohexan-1-ol
CID 93419082
trans-(1S,2S)-2-[1-(3-chlorophenyl)ethylamino]cyclohexan-1-ol
CID 104956148
N-[1-(3-chlorophenyl)ethyl]-2-piperidin-2-ylcyclopentan-1-amine
CID 79538155
N-[(1S)-1-(3-chlorophenyl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 81371686
N-[1-(3-chlorophenyl)ethyl]-2,4-dimethylcyclohexan-1-amine
CID 63994085
N-[1-(3-chlorophenyl)ethyl]-2,5-dimethylcyclohexan-1-amine
CID 64774146

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine (CID 43392322) is N-[1-(3-chlorophenyl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine is CC(NC1CC2CC1C1CCCC21)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine?
The InChIKey is FKRZKPUXILLUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN/c1-11(12-4-2-5-14(19)8-12)20-18-10-13-9-17(18)16-7-3-6-15(13)16/h2,4-5,8,11,13,15-18,20H,3,6-7,9-10H2,1H3.
What are the key properties of N-[1-(3-chlorophenyl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine?
N-[1-(3-chlorophenyl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine has a molecular weight of 289.85 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine is sourced from PubChem (CID 43392322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).