N-[(4-bromophenyl)methyl]-1-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-N-methylmethanamine

C18H24BrN — CID 71455889

IUPACN-[(4-bromophenyl)methyl]-1-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-N-methylmethanamine
SMILESCN(CC1=CC[C@H]2C[C@@H]1C2(C)C)Cc1ccc(Br)cc1
InChIInChI=1S/C18H24BrN/c1-18(2)15-7-6-14(17(18)10-15)12-20(3)11-13-4-8-16(19)9-5-13/h4-6,8-9,15,17H,7,10-12H2,1-3H3/t15-,17-/m0/s1
InChIKeyBGMZTQKGOMILFX-RDJZCZTQSA-N
MW334.30 g/mol
LogP4.87
Rot. Bonds4

About N-[(4-bromophenyl)methyl]-1-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-N-methylmethanamine

N-[(4-bromophenyl)methyl]-1-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-N-methylmethanamine (PubChem CID 71455889) has the molecular formula C18H24BrN and a molecular weight of 334.30 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-1-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-N-methylmethanamine.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-1-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-N-methylmethanamine
PubChem CID71455889
Molecular FormulaC18H24BrN
Molecular Weight334.30 g/mol
Exact Mass333.11
IUPAC NameN-[(4-bromophenyl)methyl]-1-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-N-methylmethanamine
SMILESCN(CC1=CC[C@H]2C[C@@H]1C2(C)C)Cc1ccc(Br)cc1
InChIInChI=1S/C18H24BrN/c1-18(2)15-7-6-14(17(18)10-15)12-20(3)11-13-4-8-16(19)9-5-13/h4-6,8-9,15,17H,7,10-12H2,1-3H3/t15-,17-/m0/s1
InChIKeyBGMZTQKGOMILFX-RDJZCZTQSA-N
XLogP4.87
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-1-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-N-methylmethanamine?
The IUPAC name of N-[(4-bromophenyl)methyl]-1-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-N-methylmethanamine (CID 71455889) is N-[(4-bromophenyl)methyl]-1-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-N-methylmethanamine.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-1-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-N-methylmethanamine?
The canonical SMILES for N-[(4-bromophenyl)methyl]-1-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-N-methylmethanamine is CN(CC1=CC[C@H]2C[C@@H]1C2(C)C)Cc1ccc(Br)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-1-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-N-methylmethanamine?
The InChIKey is BGMZTQKGOMILFX-RDJZCZTQSA-N. The full InChI is InChI=1S/C18H24BrN/c1-18(2)15-7-6-14(17(18)10-15)12-20(3)11-13-4-8-16(19)9-5-13/h4-6,8-9,15,17H,7,10-12H2,1-3H3/t15-,17-/m0/s1.
What are the key properties of N-[(4-bromophenyl)methyl]-1-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-N-methylmethanamine?
N-[(4-bromophenyl)methyl]-1-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-N-methylmethanamine has a molecular weight of 334.30 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-1-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-N-methylmethanamine is sourced from PubChem (CID 71455889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).