[3-(4-bromophenyl)-1-adamantyl]methanamine

C17H22BrN — CID 2828177

IUPAC[3-(4-bromophenyl)-1-adamantyl]methanamine
SMILESNCC12CC3CC(C1)CC(c1ccc(Br)cc1)(C3)C2
InChIInChI=1S/C17H22BrN/c18-15-3-1-14(2-4-15)17-8-12-5-13(9-17)7-16(6-12,10-17)11-19/h1-4,12-13H,5-11,19H2
InChIKeyLAHAHKMDUHNXDH-UHFFFAOYSA-N
MW320.27 g/mol
LogP4.25
Rot. Bonds2

About [3-(4-bromophenyl)-1-adamantyl]methanamine

[3-(4-bromophenyl)-1-adamantyl]methanamine (PubChem CID 2828177) has the molecular formula C17H22BrN and a molecular weight of 320.27 g/mol. Its IUPAC name is [3-(4-bromophenyl)-1-adamantyl]methanamine.

Molecular Properties

Compound Name[3-(4-bromophenyl)-1-adamantyl]methanamine
PubChem CID2828177
Molecular FormulaC17H22BrN
Molecular Weight320.27 g/mol
Exact Mass319.09
IUPAC Name[3-(4-bromophenyl)-1-adamantyl]methanamine
SMILESNCC12CC3CC(C1)CC(c1ccc(Br)cc1)(C3)C2
InChIInChI=1S/C17H22BrN/c18-15-3-1-14(2-4-15)17-8-12-5-13(9-17)7-16(6-12,10-17)11-19/h1-4,12-13H,5-11,19H2
InChIKeyLAHAHKMDUHNXDH-UHFFFAOYSA-N
XLogP4.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [3-(4-bromophenyl)-1-adamantyl]methanamine?
The IUPAC name of [3-(4-bromophenyl)-1-adamantyl]methanamine (CID 2828177) is [3-(4-bromophenyl)-1-adamantyl]methanamine.
What is the SMILES notation for [3-(4-bromophenyl)-1-adamantyl]methanamine?
The canonical SMILES for [3-(4-bromophenyl)-1-adamantyl]methanamine is NCC12CC3CC(C1)CC(c1ccc(Br)cc1)(C3)C2.
What is the InChIKey of [3-(4-bromophenyl)-1-adamantyl]methanamine?
The InChIKey is LAHAHKMDUHNXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN/c18-15-3-1-14(2-4-15)17-8-12-5-13(9-17)7-16(6-12,10-17)11-19/h1-4,12-13H,5-11,19H2.
What are the key properties of [3-(4-bromophenyl)-1-adamantyl]methanamine?
[3-(4-bromophenyl)-1-adamantyl]methanamine has a molecular weight of 320.27 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-bromophenyl)-1-adamantyl]methanamine is sourced from PubChem (CID 2828177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).