N-[(1S)-1-(2-bromophenyl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine

C18H24BrN — CID 81378144

IUPACN-[(1S)-1-(2-bromophenyl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine
SMILESC[C@H](NC1CC2CC1C1CCCC21)c1ccccc1Br
InChIInChI=1S/C18H24BrN/c1-11(13-5-2-3-8-17(13)19)20-18-10-12-9-16(18)15-7-4-6-14(12)15/h2-3,5,8,11-12,14-16,18,20H,4,6-7,9-10H2,1H3/t11-,12?,14?,15?,16?,18?/m0/s1
InChIKeyIAQLOHSBVPGKCS-RZKVANISSA-N
MW334.30 g/mol
LogP4.92
Rot. Bonds3

About N-[(1S)-1-(2-bromophenyl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine

N-[(1S)-1-(2-bromophenyl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine (PubChem CID 81378144) has the molecular formula C18H24BrN and a molecular weight of 334.30 g/mol. Its IUPAC name is N-[(1S)-1-(2-bromophenyl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine.

Molecular Properties

Compound NameN-[(1S)-1-(2-bromophenyl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine
PubChem CID81378144
Molecular FormulaC18H24BrN
Molecular Weight334.30 g/mol
Exact Mass333.11
IUPAC NameN-[(1S)-1-(2-bromophenyl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine
SMILESC[C@H](NC1CC2CC1C1CCCC21)c1ccccc1Br
InChIInChI=1S/C18H24BrN/c1-11(13-5-2-3-8-17(13)19)20-18-10-12-9-16(18)15-7-4-6-14(12)15/h2-3,5,8,11-12,14-16,18,20H,4,6-7,9-10H2,1H3/t11-,12?,14?,15?,16?,18?/m0/s1
InChIKeyIAQLOHSBVPGKCS-RZKVANISSA-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-(2-fluorophenyl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 43223965
N-[1-(4-bromophenyl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 43223790
N-[(1S)-1-(2-bromophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine
CID 81383170
N-[(1R)-1-(2-bromophenyl)ethyl]-3-cyclopropylcyclohexan-1-amine
CID 81379091
2-[1-(2-bromophenyl)ethylamino]cyclohexan-1-ol
CID 60714831
N-[(1R)-1-(2-bromophenyl)ethyl]-2-methoxycyclohexan-1-amine
CID 81378180
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 43432482
N-[1-(4-bromothiophen-2-yl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 107354146
N-[1-(3-chlorophenyl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 43392322
N-[(1R)-1-pyridin-3-ylethyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 81407323
N-[(1S)-1-(2-bromophenyl)ethyl]-2-tert-butylcyclohexan-1-amine
CID 81383486
N-[(1S)-1-(2-bromophenyl)ethyl]cycloheptanamine
CID 29266972

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-bromophenyl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine?
The IUPAC name of N-[(1S)-1-(2-bromophenyl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine (CID 81378144) is N-[(1S)-1-(2-bromophenyl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine.
What is the SMILES notation for N-[(1S)-1-(2-bromophenyl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine?
The canonical SMILES for N-[(1S)-1-(2-bromophenyl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine is C[C@H](NC1CC2CC1C1CCCC21)c1ccccc1Br.
What is the InChIKey of N-[(1S)-1-(2-bromophenyl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine?
The InChIKey is IAQLOHSBVPGKCS-RZKVANISSA-N. The full InChI is InChI=1S/C18H24BrN/c1-11(13-5-2-3-8-17(13)19)20-18-10-12-9-16(18)15-7-4-6-14(12)15/h2-3,5,8,11-12,14-16,18,20H,4,6-7,9-10H2,1H3/t11-,12?,14?,15?,16?,18?/m0/s1.
What are the key properties of N-[(1S)-1-(2-bromophenyl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine?
N-[(1S)-1-(2-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-[(1S)-1-(2-bromophenyl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine is sourced from PubChem (CID 81378144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).