N-[1-(4-bromophenyl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine

C18H24BrN — CID 43223790

IUPACN-[1-(4-bromophenyl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine
SMILESCC(NC1CC2CC1C1CCCC21)c1ccc(Br)cc1
InChIInChI=1S/C18H24BrN/c1-11(12-5-7-14(19)8-6-12)20-18-10-13-9-17(18)16-4-2-3-15(13)16/h5-8,11,13,15-18,20H,2-4,9-10H2,1H3
InChIKeyHJSHNXGLWNRGSN-UHFFFAOYSA-N
MW334.30 g/mol
LogP4.92
Rot. Bonds3

About N-[1-(4-bromophenyl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine

N-[1-(4-bromophenyl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine (PubChem CID 43223790) has the molecular formula C18H24BrN and a molecular weight of 334.30 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine
PubChem CID43223790
Molecular FormulaC18H24BrN
Molecular Weight334.30 g/mol
Exact Mass333.11
IUPAC NameN-[1-(4-bromophenyl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine
SMILESCC(NC1CC2CC1C1CCCC21)c1ccc(Br)cc1
InChIInChI=1S/C18H24BrN/c1-11(12-5-7-14(19)8-6-12)20-18-10-13-9-17(18)16-4-2-3-15(13)16/h5-8,11,13,15-18,20H,2-4,9-10H2,1H3
InChIKeyHJSHNXGLWNRGSN-UHFFFAOYSA-N
XLogP4.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(4-bromophenyl)propyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 43223945
N-[(1S)-1-(2-bromophenyl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 81378144
N-[1-(4-bromothiophen-2-yl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 107354146
N-[(1R)-1-pyridin-3-ylethyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 81407323
N-[1-(3-chlorophenyl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 43392322
N-[1-(2-fluorophenyl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 43223965
N-[1-(4-bromophenyl)ethyl]-3-cyclopropylcyclohexan-1-amine
CID 64624415
(2R,6R,8R)-N-[1-(4-methoxy-3-methylsulfonylphenyl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 59969382
N-[1-(4-bromophenyl)ethyl]-2-methylcyclohexan-1-amine
CID 43080246
3-[1-(4-bromophenyl)ethylamino]cyclohexan-1-ol
CID 43751203
N-[(1S)-1-(4-bromophenyl)ethyl]-2-methoxycyclohexan-1-amine
CID 81359045
N-[(1R)-1-(4-bromophenyl)ethyl]cyclopropanamine
CID 30110346

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine (CID 43223790) is N-[1-(4-bromophenyl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine is CC(NC1CC2CC1C1CCCC21)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine?
The InChIKey is HJSHNXGLWNRGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrN/c1-11(12-5-7-14(19)8-6-12)20-18-10-13-9-17(18)16-4-2-3-15(13)16/h5-8,11,13,15-18,20H,2-4,9-10H2,1H3.
What are the key properties of N-[1-(4-bromophenyl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine?
N-[1-(4-bromophenyl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine has a molecular weight of 334.30 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine is sourced from PubChem (CID 43223790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).